G4V9X4_SCHMA Loading...

Rhodanese domain-containing protein

AlphaFold DB , UniProt , Accession G4V9X4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 182 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.4	Very low	50.9	Low	254 Å²	254	149 Å²	149	100%	1.251	86%	0.855	S	S	*	*				0	114.5	0	-72	-165	154.8	0	0	107.8
2	S	43.9	Very low	51.5	Low	112 Å²	112	154.1 Å²	154.1	78%	0.783	86%	0.861	S	S	*	*			trans	-106	120.1	-171.8	-166	0	0	0	0	108.6
3	L	47.8	Very low	51.5	Low	177 Å²	177	151.3 Å²	151.3	93%	0.927	85%	0.85	S	S	*	*			trans	-141.1	95	172.8	-102.5	163.6	0	0	0	108.1	R5	L3-R5 PolarHBondContact O-N 3.04Å
4	V	54.8	Low	51.3	Low	121 Å²	121	155.6 Å²	155.6	73%	0.733	86%	0.856	S	S	*	*			trans	-75.9	115.2	175.2	-175.9	0	0	0	0	107.6	L6	V4-L6 PolarHBondContact O-N 3.48Å
5	R	51	Low	50.7	Low	232 Å²	232	154.7 Å²	154.7	88%	0.875	85%	0.849	S	S	*	*			trans	-84.7	95	-178.3	-141.1	-178.3	-168	164.2	2.2	108.9	L3 T7	L3-R5 PolarHBondContact O-N 3.04Å; R5-T7 PolarHBondContact O-N 3.22Å
6	L	44.8	Very low	50.5	Low	165 Å²	165	157 Å²	157	86%	0.864	84%	0.841	S	S	*	*			trans	-74.9	97.3	169.8	-82.1	156	0	0	0	108.9	V4 S8	V4-L6 PolarHBondContact O-N 3.48Å; L6-S8 PolarHBondContact O-N 2.89Å
7	T	55.8	Low	50.5	Low	119 Å²	119	156.1 Å²	156.1	73%	0.73	84%	0.843	S	S	*	*			trans	-80.1	107.7	168.8	51.2	0	0	0	0	108.8	R5 C9	R5-T7 PolarHBondContact O-N 3.22Å; T7-C9 PolarHBondContact O-N 2.83Å
8	S	56.8	Low	50.3	Low	117 Å²	117	155.3 Å²	155.3	82%	0.818	83%	0.83	S	S	*	*	P	Polyproline II helix	trans	-63.8	118.9	171.6	44.7	0	0	0	0	110.3	L6	L6-S8 PolarHBondContact O-N 2.89Å
9	C	45.2	Very low	50	Low	121 Å²	121	152.4 Å²	152.4	82%	0.818	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-77.8	134	168.8	-81.1	0	0	0	0	109.9	T7	T7-C9 PolarHBondContact O-N 2.83Å
10	P	57.7	Low	49.6	Very low	123 Å²	123	152.4 Å²	152.4	80%	0.799	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-72.4	136.2	-175.3	28	-32.4	0	0	0	111.7	F12	P10-F12 PolarHBondContact O-N 2.64Å
11	A	52.5	Low	49.4	Very low	98 Å²	98	151.6 Å²	151.6	81%	0.81	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-61.1	123.3	175.3	0	0	0	0	0	110.6	T13	A11-T13 PolarHBondContact O-N 2.81Å
12	F	58.4	Low	48.7	Very low	210 Å²	210	145.7 Å²	145.7	92%	0.921	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-69.9	121.4	179.2	-152.7	-101.9	0	0	0	109.6	P10 F14	P10-F12 PolarHBondContact O-N 2.64Å; F12-F14 PolarHBondContact O-N 3.28Å
13	T	51.8	Low	48.6	Very low	118 Å²	118	151 Å²	151	72%	0.724	80%	0.801	S	S	*	*			trans	-63.4	111.6	-173.9	-29.3	0	0	0	0	110.8	A11 N15	A11-T13 PolarHBondContact O-N 2.81Å; T13-N15 PolarHBondContact O-N 2.8Å; T13-N15 VanDerWaalsContact O-N 3.08Å
14	F	47.8	Very low	48.2	Very low	212 Å²	212	147.3 Å²	147.3	93%	0.93	79%	0.79	S	S	*	*			trans	-73	98.2	172.7	-159.2	-96.7	0	0	0	108.5	F12	F12-F14 PolarHBondContact O-N 3.28Å
15	N	42.8	Very low	48	Very low	142 Å²	142	147.3 Å²	147.3	76%	0.759	79%	0.792	S	S	*	*			trans	-101.1	149.8	-179	-142.6	-29.3	0	0	0	110.4	T13	T13-N15 PolarHBondContact O-N 2.8Å; T13-N15 VanDerWaalsContact O-N 3.08Å
16	R	48.3	Very low	47.5	Very low	191 Å²	191	144.4 Å²	144.4	72%	0.721	79%	0.786	S	S	*	*			trans	89.7	74.3	168.8	-112.5	178.7	175.9	-167.9	-12.7	118.1	F18	R16-F18 HydrophobicContact CG-CD2 3.85Å; R16-F18 HydrophobicContact CG-CE2 3.98Å; R16-F18 VanDerWaalsContact NE-CE2 3.27Å; R16-F18 PolarHBondContact O-N 3.37Å
17	V	49.3	Very low	47.7	Very low	142 Å²	142	142.7 Å²	142.7	86%	0.861	78%	0.778	S	S	*	*			trans	-59.3	104.1	145.7	175.2	0	0	0	0	108.5
18	F	47.3	Very low	47.1	Very low	142 Å²	142	144.3 Å²	144.3	62%	0.623	78%	0.777	S	S	*	*			trans	-100.4	101.4	161.1	-108.6	-96.9	0	0	0	108.2	R16 L20	R16-F18 HydrophobicContact CG-CD2 3.85Å; R16-F18 HydrophobicContact CG-CE2 3.98Å; R16-F18 VanDerWaalsContact NE-CE2 3.27Å; R16-F18 PolarHBondContact O-N 3.37Å; F18-L20 PolarHBondContact O-N 3.16Å
19	S	45	Very low	46.5	Very low	99 Å²	99	145 Å²	145	69%	0.692	78%	0.776	S	S	*	*			trans	-66.1	96	169.5	-178	0	0	0	0	108.7	I21	S19-I21 PolarHBondContact O-N 3.05Å
20	L	42.3	Very low	46.2	Very low	153 Å²	153	147.1 Å²	147.1	80%	0.801	78%	0.779	S	S	*	*			trans	-87.7	103.9	166.7	-93.4	142.6	0	0	0	107.8	F18 C22	F18-L20 PolarHBondContact O-N 3.16Å; L20-C22 PolarHBondContact O-N 3.05Å
21	I	44.8	Very low	45.2	Very low	136 Å²	136	147.2 Å²	147.2	70%	0.697	78%	0.781	S	S	*	*			trans	-54.9	116	175.6	-64.6	167.5	0	0	0	109.1	S19 R23	S19-I21 PolarHBondContact O-N 3.05Å; I21-R23 HydrophobicContact CG2-CG 4.25Å; I21-R23 PolarHBondContact O-N 2.85Å
22	C	34.8	Very low	44.7	Very low	129 Å²	129	147.4 Å²	147.4	87%	0.872	78%	0.776	S	S	*	*			trans	-60.6	97.6	168.1	-65	0	0	0	0	110.1	L20	L20-C22 PolarHBondContact O-N 3.05Å
23	R	40.8	Very low	43.9	Very low	225 Å²	225	146.2 Å²	146.2	85%	0.849	77%	0.773	S	S	*	*			trans	-104.8	102.6	156.9	-72.8	-170.1	176.3	-156.2	-0.1	107.4	I21 P25	I21-R23 HydrophobicContact CG2-CG 4.25Å; I21-R23 PolarHBondContact O-N 2.85Å; R23-P25 VanDerWaalsContact O-CD 3.32Å; R23-P25 WeakPolarHBondContact O-CD 3.26Å
24	S	40.9	Very low	43.7	Very low	99 Å²	99	150.4 Å²	150.4	69%	0.692	78%	0.781	S	S	*	*			trans	-104.7	95.3	171.3	166.3	0	0	0	0	108.9	K26	S24-K26 PolarHBondContact O-N 3.06Å
25	P	49.3	Very low	43.4	Very low	120 Å²	120	147.2 Å²	147.2	78%	0.779	78%	0.778	S	S	*	*			trans	-76.8	105.6	161.4	-1.8	20.3	0	0	0	107.7	R23 N27	R23-P25 VanDerWaalsContact O-CD 3.32Å; R23-P25 WeakPolarHBondContact O-CD 3.26Å; P25-N27 PolarHBondContact O-N 2.98Å
26	K	41.3	Very low	43.5	Very low	171 Å²	171	148.1 Å²	148.1	74%	0.743	78%	0.782	S	S	*	*			trans	-63	118.7	156.2	-60.9	174.4	-178.3	178	0	105.8	S24	S24-K26 PolarHBondContact O-N 3.06Å
27	N	48	Very low	43.3	Very low	129 Å²	129	148.1 Å²	148.1	69%	0.69	78%	0.784	S	S	*	*			trans	-175.3	92.5	142.5	-85	-15.2	0	0	0	109.8	P25 T29	P25-N27 PolarHBondContact O-N 2.98Å; N27-T29 PolarHBondContact O-N 3.22Å
28	H	43.3	Very low	43.2	Very low	154 Å²	154	147.6 Å²	147.6	71%	0.713	78%	0.776	S	S	*	*			trans	-35.4	87.2	154.7	37.4	-87.3	0	0	0	113.8	L30	H28-L30 PolarHBondContact O-N 3.11Å
29	T	44.2	Very low	43.4	Very low	132 Å²	132	151.4 Å²	151.4	81%	0.81	79%	0.786	S	S	*	*			trans	-89.8	93.1	158	-43.4	0	0	0	0	107.9	N27 C31	N27-T29 PolarHBondContact O-N 3.22Å; T29-C31 PolarHBondContact O-N 2.86Å
30	L	40.6	Very low	43.8	Very low	165 Å²	165	151.1 Å²	151.1	86%	0.864	78%	0.78	S	S	*	*			trans	-53.8	96.5	168	-91.9	157	0	0	0	109.2	H28 S32	H28-L30 PolarHBondContact O-N 3.11Å; L30-S32 PolarHBondContact O-N 2.99Å
31	C	35.9	Very low	44.2	Very low	125 Å²	125	148.4 Å²	148.4	85%	0.845	77%	0.766	S	S	*	*			trans	-78.7	105.9	174.3	-169.1	0	0	0	0	108.8	T29 H33	T29-C31 PolarHBondContact O-N 2.86Å; C31-H33 PolarHBondContact O-N 3.12Å
32	S	42	Very low	44.5	Very low	101 Å²	101	146.3 Å²	146.3	71%	0.706	76%	0.76	S	S	*	*			trans	-54.4	116.9	179.4	-69.4	0	0	0	0	113.1	L30 K34	L30-S32 PolarHBondContact O-N 2.99Å; S32-K34 PolarHBondContact O-N 3.27Å
33	H	42.2	Very low	45.3	Very low	185 Å²	185	143 Å²	143	86%	0.856	74%	0.742	S	S	*	*			trans	24.5	91.7	138.7	-71.2	104.4	0	0	0	117.2	C31	C31-H33 PolarHBondContact O-N 3.12Å
34	K	46.4	Very low	45.8	Very low	206 Å²	206	140.1 Å²	140.1	90%	0.896	73%	0.731	S	S	*	*			trans	-151.2	38.3	158.2	-118	-175.3	-171	-174.9	0	113.8	S32	S32-K34 PolarHBondContact O-N 3.27Å
35	V	41.4	Very low	46.3	Very low	145 Å²	145	140.9 Å²	140.9	88%	0.879	73%	0.727	S	S	*	*			trans	-137.6	66.4	171.6	-165.8	0	0	0	0	110
36	L	45.6	Very low	46.5	Very low	161 Å²	161	140.7 Å²	140.7	84%	0.843	72%	0.719	S	S	*	*			trans	-120.3	3.2	174.9	-151	75.6	0	0	0	113.9
37	Y	44.7	Very low	47.2	Very low	192 Å²	192	136 Å²	136	75%	0.753	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-15.4	-167.2	-161.2	-104.4	0	0	0	115.9
38	N	47	Very low	47.6	Very low	130 Å²	130	137.8 Å²	137.8	70%	0.695	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108	15.6	-168.8	-71.3	-15.7	0	0	0	116.3
39	R	51.5	Low	48	Very low	222 Å²	222	138.6 Å²	138.6	84%	0.838	71%	0.713	S	S	*	*	S	Bend	trans	-99.1	-21.4	178.8	-139.7	176	179.1	170.8	-1	114.8
40	V	52.3	Low	48.1	Very low	93 Å²	93	135.4 Å²	135.4	56%	0.564	70%	0.7	S	S	*	*	H	α-helix	trans	-80.2	-29.5	-176.9	-178.7	0	0	0	0	112.5
41	L	50.7	Low	48.5	Very low	97 Å²	97	135.8 Å²	135.8	51%	0.508	70%	0.697	S	S	.	*	H	α-helix	trans	-79	-26.7	-177.8	-68.9	173.1	0	0	0	113.8
42	V	52.6	Low	48.6	Very low	92 Å²	92	134.1 Å²	134.1	56%	0.558	69%	0.693	S	S	*	*	H	α-helix	trans	-74.1	-32.3	179.2	-175.7	0	0	0	0	111.8	R44 N45 L46	V42-R44 PolarHBondContact O-N 3.44Å; V42-N45 PolarHBondContact O-N 3.13Å; V42-L46 PolarHBondContact O-N 2.82Å
43	A	50.9	Low	48.7	Very low	60 Å²	60	136.5 Å²	136.5	50%	0.496	70%	0.696	S	S	.	*	H	α-helix	trans	-67.9	-33.5	-179.7	0	0	0	0	0	113.1	N45 L46 S47	A43-N45 VanDerWaalsContact C-N 3.34Å; A43-N45 PolarHBondContact O-N 2.71Å; A43-L46 PolarHBondContact O-N 2.7Å; A43-S47 PolarHBondContact O-N 3.4Å; A43-S47 VanDerWaalsContact O-N 3.13Å
44	R	51	Low	48.5	Very low	164 Å²	164	131.5 Å²	131.5	62%	0.619	70%	0.695	S	S	*	*	H	α-helix	trans	-67.2	-35.5	178.7	-71.5	-175.1	175.7	141	-0.7	112.5	V42 L46 S47 Q48	V42-R44 PolarHBondContact O-N 3.44Å; R44-L46 PolarHBondContact O-N 3.18Å; R44-S47 PolarHBondContact O-N 3.3Å; R44-Q48 PolarHBondContact O-N 2.96Å
45	N	50.7	Low	48.4	Very low	115 Å²	115	126.2 Å²	126.2	62%	0.615	68%	0.684	S	S	*	*	H	α-helix	trans	-72.4	-17.4	176.1	-65.8	-13.5	0	0	0	113	V42 A43	V42-N45 PolarHBondContact O-N 3.13Å; A43-N45 VanDerWaalsContact C-N 3.34Å; A43-N45 PolarHBondContact O-N 2.71Å
46	L	54.3	Low	48.8	Very low	116 Å²	116	127.8 Å²	127.8	61%	0.607	68%	0.681	S	S	*	*	H	α-helix	trans	-84.3	-36.5	172.2	-72.2	167.2	0	0	0	111.9	V42 A43 R44 K49 A50	V42-L46 PolarHBondContact O-N 2.82Å; A43-L46 PolarHBondContact O-N 2.7Å; R44-L46 PolarHBondContact O-N 3.18Å; L46-K49 PolarHBondContact O-N 2.97Å; L46-K49 VanDerWaalsContact O-N 3.09Å; L46-A50 PolarHBondContact O-N 3.03Å
47	S	56.6	Low	48.6	Very low	72 Å²	72	122.7 Å²	122.7	50%	0.503	67%	0.668	S	S	.	*	H	α-helix	trans	-65.8	-39.8	177.7	-159.3	0	0	0	0	112.1	A43 R44 K49 A50	A43-S47 PolarHBondContact O-N 3.4Å; A43-S47 VanDerWaalsContact O-N 3.13Å; R44-S47 PolarHBondContact O-N 3.3Å; S47-K49 PolarHBondContact O-N 3.32Å; S47-A50 PolarHBondContact O-N 3.3Å
48	Q	55.6	Low	48.2	Very low	167 Å²	167	119 Å²	119	78%	0.78	67%	0.665	S	S	*	*	H	α-helix	trans	-68.8	-10.9	175	-69.6	-171	-39.2	0	0	113.5	R44	R44-Q48 PolarHBondContact O-N 2.96Å
49	K	51.1	Low	48.1	Very low	171 Å²	171	118.3 Å²	118.3	74%	0.743	66%	0.661	S	S	*	*	H	α-helix	trans	-97	-11.6	176.7	-159.8	160.7	-175.2	177.1	0	113.8	L46 S47	L46-K49 PolarHBondContact O-N 2.97Å; L46-K49 VanDerWaalsContact O-N 3.09Å; S47-K49 PolarHBondContact O-N 3.32Å
50	A	47.5	Very low	47.7	Very low	65 Å²	65	116.8 Å²	116.8	54%	0.537	66%	0.66	S	S	.	*	H	α-helix	trans	-90.8	-20.3	-175.1	0	0	0	0	0	114.3	L46 S47 A52	L46-A50 PolarHBondContact O-N 3.03Å; S47-A50 PolarHBondContact O-N 3.3Å; A50-A52 VanDerWaalsContact C-N 3.28Å; A50-A52 PolarHBondContact O-N 2.69Å
51	E	48.8	Very low	47.3	Very low	172 Å²	172	117 Å²	117	80%	0.804	66%	0.662	S	S	*	*	S	Bend	trans	-86.1	11.6	-173.9	-65.6	-175.8	174.8	0	0	114.8
52	A	37.9	Very low	47.4	Very low	90 Å²	90	121.2 Å²	121.2	74%	0.744	68%	0.678	S	S	*	*			trans	-125.5	52.7	176.4	0	0	0	0	0	112.4	A50	A50-A52 VanDerWaalsContact C-N 3.28Å; A50-A52 PolarHBondContact O-N 2.69Å
53	I	43.1	Very low	47.1	Very low	151 Å²	151	119.8 Å²	119.8	77%	0.774	67%	0.67	S	S	*	*			trans	-115	13.4	163.7	-47.4	176.4	0	0	0	110
54	G	38.2	Very low	47.3	Very low	81 Å²	81	121.8 Å²	121.8	84%	0.835	67%	0.672	S	S	*	*	S	Bend	trans	-90.4	9.7	-175.7	0	0	0	0	0	115.8
55	S	45.5	Very low	47.6	Very low	95 Å²	95	121.5 Å²	121.5	66%	0.664	68%	0.678	S	S	*	*	S	Bend	trans	-135.6	124.3	167.3	46.9	0	0	0	0	107.7	G57	S55-G57 PolarHBondContact O-N 3.32Å
56	E	49.2	Very low	48.3	Very low	177 Å²	177	118.2 Å²	118.2	83%	0.827	66%	0.664	S	S	*	*			trans	-45.2	99.3	151.2	-90.7	176.6	146.3	0	0	106	T58	E56-T58 PolarHBondContact O-N 3.03Å
57	G	40.7	Very low	49	Very low	55 Å²	55	118.9 Å²	118.9	57%	0.567	66%	0.658	S	S	*	*			trans	-60	97.9	177.9	0	0	0	0	0	105.3	S55 I59	S55-G57 PolarHBondContact O-N 3.32Å; G57-I59 PolarHBondContact O-N 3.41Å
58	T	36.5	Very low	50.3	Low	113 Å²	113	119.2 Å²	119.2	69%	0.693	66%	0.659	S	S	*	*			trans	-66.6	78.7	159.5	-58.2	0	0	0	0	103.6	E56 K60	E56-T58 PolarHBondContact O-N 3.03Å; T58-K60 VanDerWaalsContact C-N 3.29Å; T58-K60 HydrophobicContact CG2-CG 4.47Å; T58-K60 PolarHBondContact O-N 2.92Å
59	I	45.3	Very low	51.9	Low	116 Å²	116	118.7 Å²	118.7	60%	0.595	65%	0.654	S	S	*	*			trans	-59.6	103.5	172.4	-65.7	176.3	0	0	0	103.4	G57 T61 V63	G57-I59 PolarHBondContact O-N 3.41Å; I59-T61 HydrophobicContact CG2-CG2 3.22Å; I59-T61 WeakPolarHBondContact CG2-OG1 3.42Å; I59-T61 PolarHBondContact O-N 3.39Å; I59-T61 PolarHBondContact O-OG1 3.14Å; I59-V63 WeakPolarHBondContact O-CG2 3.36Å
60	K	42.9	Very low	54	Low	190 Å²	190	112.5 Å²	112.5	83%	0.826	63%	0.627	S	S	*	*			trans	-72.4	42.8	174.4	-64.9	-163.4	176.8	-172	0	110.7	T58 H62	T58-K60 VanDerWaalsContact C-N 3.29Å; T58-K60 HydrophobicContact CG2-CG 4.47Å; T58-K60 PolarHBondContact O-N 2.92Å; K60-H62 VanDerWaalsContact C-N 3.31Å; K60-H62 PolarHBondContact O-N 2.85Å
61	T	44.7	Very low	56.3	Low	99 Å²	99	111.5 Å²	111.5	61%	0.607	61%	0.612	S	S	*	*	S	Bend	trans	-75.1	88.7	169.9	44.1	0	0	0	0	106.6	I59 V63	I59-T61 HydrophobicContact CG2-CG2 3.22Å; I59-T61 WeakPolarHBondContact CG2-OG1 3.42Å; I59-T61 PolarHBondContact O-N 3.39Å; I59-T61 PolarHBondContact O-OG1 3.14Å; T61-V63 WeakPolarHBondContact O-CA 3.33Å; T61-V63 WeakPolarHBondContact O-CG2 3.4Å; T61-V63 PolarHBondContact O-N 3.11Å
62	H	52.2	Low	58.6	Low	184 Å²	184	103.4 Å²	103.4	85%	0.852	58%	0.575	S	S	*	*	S	Bend	trans	22.6	62.8	173.1	-172.4	-77.1	0	0	0	110.8	K60 D64	K60-H62 VanDerWaalsContact C-N 3.31Å; K60-H62 PolarHBondContact O-N 2.85Å; H62-D64 PolarHBondContact O-N 3.17Å
63	V	47.6	Very low	61.3	Low	62 Å²	62	102.5 Å²	102.5	38%	0.376	56%	0.56	S	S	.	*			trans	-69	106.3	-154.7	179	0	0	0	0	104.8	I59 T61 E65	I59-V63 WeakPolarHBondContact O-CG2 3.36Å; T61-V63 WeakPolarHBondContact O-CA 3.33Å; T61-V63 WeakPolarHBondContact O-CG2 3.4Å; T61-V63 PolarHBondContact O-N 3.11Å; V63-E65 PolarHBondContact O-N 3.22Å
64	D	54	Low	63.8	Low	102 Å²	102	98 Å²	98	55%	0.545	53%	0.534	S	S	.	.			trans	-60.7	101.8	169	-179.8	8.9	0	0	0	105.4	H62 S66 R67	H62-D64 PolarHBondContact O-N 3.17Å; D64-S66 PolarHBondContact O-N 3.2Å; D64-S66 WeakPolarHBondContact OD1-CB 3.38Å; D64-S66 PolarHBondContact OD1-N 3.27Å; D64-S66 VanDerWaalsContact OD1-N 3.14Å; D64-S66 PolarHBondContact OD1-OG 2.62Å; D64-S66 VanDerWaalsContact OD1-OG 3.11Å; D64-S66 PolarHBondContact OD2-OG 3Å; D64-R67 PolarHBondContact O-N 3.28Å
65	E	58.4	Low	66.5	Low	159 Å²	159	99.8 Å²	99.8	74%	0.743	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-10.1	177.1	-64.9	-66.3	162.9	0	0	111.6	V63 R67 P68	V63-E65 PolarHBondContact O-N 3.22Å; E65-R67 VanDerWaalsContact C-N 3.33Å; E65-P68 WeakPolarHBondContact O-CD 3.33Å; E65-P68 WeakPolarHBondContact O-CG 3.3Å
66	S	64.9	Low	68.8	Low	46 Å²	46	99.5 Å²	99.5	32%	0.322	51%	0.512	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-27.2	171.1	88.4	0	0	0	0	114.3	D64 K69 F70	D64-S66 PolarHBondContact O-N 3.2Å; D64-S66 WeakPolarHBondContact OD1-CB 3.38Å; D64-S66 PolarHBondContact OD1-N 3.27Å; D64-S66 VanDerWaalsContact OD1-N 3.14Å; D64-S66 PolarHBondContact OD1-OG 2.62Å; D64-S66 VanDerWaalsContact OD1-OG 3.11Å; D64-S66 PolarHBondContact OD2-OG 3Å; S66-K69 VanDerWaalsContact O-CB 3.31Å; S66-K69 WeakPolarHBondContact O-CB 3.27Å; S66-K69 PolarHBondContact O-N 3.3Å; S66-F70 WeakPolarHBondContact O-CD2 3.44Å
67	R	69.8	Low	71.1	Confident	129 Å²	129	91.1 Å²	91.1	49%	0.487	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-61.6	-44.8	-171.2	-150.7	173	76.9	120.6	0.3	115.1	D64 E65 K69 F70	D64-R67 PolarHBondContact O-N 3.28Å; E65-R67 VanDerWaalsContact C-N 3.33Å; R67-K69 PolarHBondContact O-N 3.13Å; R67-F70 PolarHBondContact O-N 3.49Å
68	P	82.4	Confident	73.7	Confident	79 Å²	79	90.1 Å²	90.1	51%	0.513	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-61.3	-24.6	179.7	21.6	-33.7	0	0	0	114.1	E65 F70 I71	E65-P68 WeakPolarHBondContact O-CD 3.33Å; E65-P68 WeakPolarHBondContact O-CG 3.3Å; P68-F70 PolarHBondContact O-N 2.86Å; P68-I71 PolarHBondContact O-N 2.97Å
69	K	90.4	Very high	76.5	Confident	157 Å²	157	87 Å²	87	68%	0.683	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-61.5	-27.7	179.8	-174.8	178.4	177.5	178.2	0	113.5	S66 R67	S66-K69 VanDerWaalsContact O-CB 3.31Å; S66-K69 WeakPolarHBondContact O-CB 3.27Å; S66-K69 PolarHBondContact O-N 3.3Å; R67-K69 PolarHBondContact O-N 3.13Å
70	F	94.7	Very high	79	Confident	40 Å²	40	83.7 Å²	83.7	18%	0.175	42%	0.422	C	S	.	.	G	3₁₀ helix	trans	-99.2	7.8	-175.9	-55.6	-69	0	0	0	113.4	S66 R67 P68 H159 K164 K167 Y168	S66-F70 WeakPolarHBondContact O-CD2 3.44Å; R67-F70 PolarHBondContact O-N 3.49Å; P68-F70 PolarHBondContact O-N 2.86Å; F70-H159 AromaticContact CD1-CE1 3.55Å; F70-H159 AromaticContact CD1-NE2 3.83Å; F70-H159 AromaticContact CD2-CE1 3.76Å; F70-H159 AromaticContact CE1-CE1 3.67Å; F70-H159 AromaticContact CE2-CE1 3.87Å; F70-H159 AromaticContact CG-CE1 3.59Å; F70-H159 AromaticContact CZ-CE1 3.82Å; F70-K164 WeakPolarHBondContact CE1-O 3.38Å; F70-K167 CarbonylContact O-C 3.53Å; F70-K167 WeakPolarHBondContact O-CA 2.96Å; F70-K167 VanDerWaalsContact O-CB 3.3Å; F70-K167 WeakPolarHBondContact O-CB 3.34Å; F70-Y168 HydrophobicContact CB-CD1 4.42Å; F70-Y168 HydrophobicContact CB-CE1 4.31Å; F70-Y168 VanDerWaalsContact O-CD1 3.28Å; F70-Y168 WeakPolarHBondContact O-CD1 3.42Å; F70-Y168 PolarHBondContact O-N 2.98Å
71	I	96.4	Very high	81.5	Confident	44 Å²	44	76.4 Å²	76.4	23%	0.226	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	138.7	174.1	-60.7	175.8	0	0	0	108.7	P68 Y168 L170	P68-I71 PolarHBondContact O-N 2.97Å; I71-Y168 WeakPolarHBondContact CA-O 3.42Å; I71-Y168 HydrophobicContact CG1-CE1 3.9Å; I71-Y168 HydrophobicContact CG1-CE2 4.16Å; I71-Y168 WeakPolarHBondContact CG1-OH 3.37Å; I71-L170 HydrophobicContact CD1-CD1 4.46Å; I71-L170 HydrophobicContact CD1-CD2 4.38Å; I71-L170 HydrophobicContact CG2-CB 3.92Å
72	I	96.5	Very high	84	Confident	2 Å²	2	76.6 Å²	76.6	1%	0.01	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	140.7	166.5	-167.7	170.5	0	0	0	109.8	E76 L77 I142 K167 Y168 Y169	I72-E76 HydrophobicContact CD1-CB 3.86Å; I72-E76 HydrophobicContact CG1-CB 3.51Å; I72-E76 WeakPolarHBondContact CG1-OE2 3.22Å; I72-L77 HydrophobicContact CD1-CB 3.95Å; I72-L77 HydrophobicContact CD1-CD1 4.42Å; I72-L77 HydrophobicContact CG1-CB 4.26Å; I72-L77 HydrophobicContact CG2-CB 4.43Å; I72-I142 HydrophobicContact CD1-CD1 3.3Å; I72-I142 HydrophobicContact CG1-CD1 4.48Å; I72-I142 HydrophobicContact CG2-CD1 4.31Å; I72-I142 HydrophobicContact CG2-CG2 3.89Å; I72-K167 HydrophobicContact CB-CD 4.37Å; I72-Y168 PolarHBondContact N-O 3.01Å; I72-Y169 HydrophobicContact CG2-CD2 4.32Å
73	T	94.9	Very high	86.1	Confident	72 Å²	72	74.6 Å²	74.6	44%	0.442	39%	0.386	S	S	.	.			trans	-83.8	166.1	175.3	69.1	0	0	0	0	111.8	D75 E76 L77	T73-D75 PolarHBondContact O-N 3.44Å; T73-E76 PolarHBondContact N-OE2 3.45Å; T73-E76 VanDerWaalsContact N-OE2 3.13Å; T73-E76 PolarHBondContact O-N 3.22Å; T73-E76 VanDerWaalsContact OG1-CG 3.29Å; T73-E76 WeakPolarHBondContact OG1-CG 3.37Å; T73-E76 PolarHBondContact OG1-N 3.46Å; T73-E76 PolarHBondContact OG1-OE2 3.48Å; T73-L77 WeakPolarHBondContact O-CB 3.38Å; T73-L77 PolarHBondContact O-N 2.83Å
74	Y	94.7	Very high	88.3	Confident	55 Å²	55	74.8 Å²	74.8	22%	0.216	40%	0.401	C	S	.	.	H	α-helix	trans	-56.4	-48.4	175.7	173.1	-98.3	0	0	0	112.1	E76 L77 S78 Y169 W176 M179	Y74-E76 PolarHBondContact O-N 3.19Å; Y74-L77 PolarHBondContact O-N 3.06Å; Y74-S78 VanDerWaalsContact O-CB 3.25Å; Y74-S78 WeakPolarHBondContact O-CB 3.43Å; Y74-S78 PolarHBondContact O-N 3.29Å; Y74-Y169 WeakPolarHBondContact CD2-OH 3.39Å; Y74-W176 HydrophobicContact CD2-CE3 4.01Å; Y74-W176 HydrophobicContact CD2-CZ3 4.28Å; Y74-W176 HydrophobicContact CE2-CD2 4.4Å; Y74-W176 AromaticContact CE2-CE3 3.77Å; Y74-W176 HydrophobicContact CE2-CE3 3.77Å; Y74-W176 AromaticContact CE2-CZ3 3.94Å; Y74-W176 HydrophobicContact CE2-CZ3 3.94Å; Y74-M179 HydrophobicContact CD2-CB 4.33Å; Y74-M179 HydrophobicContact CD2-CG 4.21Å; Y74-M179 HydrophobicContact CE1-CB 4.26Å; Y74-M179 HydrophobicContact CE1-CG 4.43Å; Y74-M179 HydrophobicContact CE2-CB 3.65Å; Y74-M179 HydrophobicContact CE2-CG 4.02Å; Y74-M179 HydrophobicContact CG-CG 4.49Å
75	D	94.7	Very high	90.2	Very high	120 Å²	120	73.4 Å²	73.4	64%	0.642	40%	0.396	S	S	*	.	H	α-helix	trans	-64.8	-41.6	-176.9	-62.7	-33.2	0	0	0	112	T73 S79	T73-D75 PolarHBondContact O-N 3.44Å; D75-S79 WeakPolarHBondContact O-CB 3.48Å; D75-S79 PolarHBondContact O-N 3.38Å
76	E	95.2	Very high	92.1	Very high	89 Å²	89	67.1 Å²	67.1	42%	0.416	37%	0.369	S	S	.	.	H	α-helix	trans	-63.4	-45.7	175.6	-71.7	178.5	144.8	0	0	111.4	I72 T73 Y74 S79 Q80	I72-E76 HydrophobicContact CD1-CB 3.86Å; I72-E76 HydrophobicContact CG1-CB 3.51Å; I72-E76 WeakPolarHBondContact CG1-OE2 3.22Å; T73-E76 PolarHBondContact N-OE2 3.45Å; T73-E76 VanDerWaalsContact N-OE2 3.13Å; T73-E76 PolarHBondContact O-N 3.22Å; T73-E76 VanDerWaalsContact OG1-CG 3.29Å; T73-E76 WeakPolarHBondContact OG1-CG 3.37Å; T73-E76 PolarHBondContact OG1-N 3.46Å; T73-E76 PolarHBondContact OG1-OE2 3.48Å; Y74-E76 PolarHBondContact O-N 3.19Å; E76-S79 PolarHBondContact O-N 3.22Å; E76-Q80 WeakPolarHBondContact O-CG 3.43Å; E76-Q80 PolarHBondContact O-N 3Å
77	L	96.8	Very high	93.7	Very high	0 Å²	0	67 Å²	67	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-63.9	-47.5	178.8	178.2	59.5	0	0	0	110.9	I72 T73 Y74 S79 Q80 I81 V86 L88 I103 I142 Y169 W176	I72-L77 HydrophobicContact CD1-CB 3.95Å; I72-L77 HydrophobicContact CD1-CD1 4.42Å; I72-L77 HydrophobicContact CG1-CB 4.26Å; I72-L77 HydrophobicContact CG2-CB 4.43Å; T73-L77 WeakPolarHBondContact O-CB 3.38Å; T73-L77 PolarHBondContact O-N 2.83Å; Y74-L77 PolarHBondContact O-N 3.06Å; L77-S79 VanDerWaalsContact C-N 3.33Å; L77-S79 PolarHBondContact O-N 2.93Å; L77-Q80 PolarHBondContact O-N 2.91Å; L77-I81 HydrophobicContact CD1-CD1 4Å; L77-I81 HydrophobicContact CD1-CG1 4.29Å; L77-I81 HydrophobicContact CG-CD1 3.84Å; L77-I81 WeakPolarHBondContact O-CG1 3.34Å; L77-I81 PolarHBondContact O-N 3.43Å; L77-V86 HydrophobicContact CD1-CG2 4.37Å; L77-L88 HydrophobicContact CD1-CD1 3.92Å; L77-L88 HydrophobicContact CD1-CD2 4.39Å; L77-I103 HydrophobicContact CD2-CD1 4.35Å; L77-I142 HydrophobicContact CD1-CD1 3.95Å; L77-I142 HydrophobicContact CD1-CG2 4.3Å; L77-Y169 HydrophobicContact CD2-CD1 3.74Å; L77-Y169 HydrophobicContact CD2-CD2 4.07Å; L77-Y169 HydrophobicContact CD2-CE1 4.15Å; L77-Y169 HydrophobicContact CD2-CE2 4.46Å; L77-Y169 HydrophobicContact CD2-CG 3.68Å; L77-W176 HydrophobicContact CD2-CE3 4.19Å; L77-W176 HydrophobicContact CD2-CZ3 4.13Å; L77-W176 HydrophobicContact CG-CZ3 4.18Å
78	S	94.9	Very high	95	Very high	34 Å²	34	61.1 Å²	61.1	24%	0.238	34%	0.341	C	S	.	.	H	α-helix	trans	-57.1	-46.4	176.8	-173.2	0	0	0	0	111.2	Y74 Q80 I81 S82	Y74-S78 VanDerWaalsContact O-CB 3.25Å; Y74-S78 WeakPolarHBondContact O-CB 3.43Å; Y74-S78 PolarHBondContact O-N 3.29Å; S78-Q80 PolarHBondContact O-N 3.22Å; S78-I81 PolarHBondContact O-N 2.65Å; S78-S82 PolarHBondContact O-N 3.47Å; S78-S82 PolarHBondContact O-OG 3.29Å
79	S	95.8	Very high	95.8	Very high	49 Å²	49	57.5 Å²	57.5	34%	0.343	32%	0.318	S	S	.	.	H	α-helix	trans	-59.2	-42.2	176	-171.1	0	0	0	0	112.8	D75 E76 L77 K83	D75-S79 WeakPolarHBondContact O-CB 3.48Å; D75-S79 PolarHBondContact O-N 3.38Å; E76-S79 PolarHBondContact O-N 3.22Å; L77-S79 VanDerWaalsContact C-N 3.33Å; L77-S79 PolarHBondContact O-N 2.93Å; S79-K83 WeakPolarHBondContact O-CD 3.14Å; S79-K83 VanDerWaalsContact O-CG 3.27Å; S79-K83 WeakPolarHBondContact O-CG 3.46Å; S79-K83 PolarHBondContact O-N 3.06Å; S79-K83 VanDerWaalsContact O-N 3.12Å; S79-K83 PolarHBondContact OG-NZ 3.48Å; S79-K83 VanDerWaalsContact OG-NZ 3.11Å
80	Q	96.7	Very high	96.2	Very high	45 Å²	45	50 Å²	50	21%	0.21	29%	0.285	C	S	.	.	H	α-helix	trans	-71.5	-32.9	178.7	-66	-176.8	38	0	0	112.9	E76 L77 S78 K83 G84 T85 V86	E76-Q80 WeakPolarHBondContact O-CG 3.43Å; E76-Q80 PolarHBondContact O-N 3Å; L77-Q80 PolarHBondContact O-N 2.91Å; S78-Q80 PolarHBondContact O-N 3.22Å; Q80-K83 PolarHBondContact O-N 2.88Å; Q80-G84 PolarHBondContact O-N 3.43Å; Q80-G84 VanDerWaalsContact O-N 3.13Å; Q80-T85 PolarHBondContact O-N 2.94Å; Q80-V86 HydrophobicContact CB-CB 3.9Å; Q80-V86 HydrophobicContact CB-CG1 4.41Å
81	I	96.6	Very high	96.4	Very high	37 Å²	37	48.3 Å²	48.3	19%	0.19	28%	0.278	C	S	.	.	H	α-helix	trans	-64.7	-48	173	-69.1	165.1	0	0	0	109.9	L77 S78 K83 G84 V86 L88 I103 W176	L77-I81 HydrophobicContact CD1-CD1 4Å; L77-I81 HydrophobicContact CD1-CG1 4.29Å; L77-I81 HydrophobicContact CG-CD1 3.84Å; L77-I81 WeakPolarHBondContact O-CG1 3.34Å; L77-I81 PolarHBondContact O-N 3.43Å; S78-I81 PolarHBondContact O-N 2.65Å; I81-K83 PolarHBondContact O-N 2.9Å; I81-G84 PolarHBondContact O-N 3.16Å; I81-V86 HydrophobicContact CB-CG1 4.44Å; I81-V86 HydrophobicContact CG1-CG1 3.72Å; I81-L88 HydrophobicContact CD1-CD2 4.05Å; I81-L88 HydrophobicContact CG1-CD2 4.46Å; I81-I103 HydrophobicContact CD1-CG2 3.6Å; I81-W176 HydrophobicContact CD1-CH2 3.25Å; I81-W176 HydrophobicContact CD1-CZ2 4.01Å; I81-W176 HydrophobicContact CD1-CZ3 3.64Å
82	S	95.8	Very high	96.5	Very high	103 Å²	103	46.7 Å²	46.7	72%	0.72	27%	0.269	S	S	*	.	H	α-helix	trans	-60.8	-32.3	177.5	-58.2	0	0	0	0	113	S78 G84	S78-S82 PolarHBondContact O-N 3.47Å; S78-S82 PolarHBondContact O-OG 3.29Å; S82-G84 VanDerWaalsContact C-N 3.32Å
83	K	96.6	Very high	96.5	Very high	142 Å²	142	49.3 Å²	49.3	62%	0.617	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-14.1	175.1	-70.3	166.7	-178.6	161.4	0	113.4	S79 Q80 I81 T85	S79-K83 WeakPolarHBondContact O-CD 3.14Å; S79-K83 VanDerWaalsContact O-CG 3.27Å; S79-K83 WeakPolarHBondContact O-CG 3.46Å; S79-K83 PolarHBondContact O-N 3.06Å; S79-K83 VanDerWaalsContact O-N 3.12Å; S79-K83 PolarHBondContact OG-NZ 3.48Å; S79-K83 VanDerWaalsContact OG-NZ 3.11Å; Q80-K83 PolarHBondContact O-N 2.88Å; I81-K83 PolarHBondContact O-N 2.9Å; K83-T85 HydrophobicContact CB-CG2 3.98Å; K83-T85 PolarHBondContact O-N 3.21Å
84	G	94.6	Very high	96.6	Very high	67 Å²	67	47.9 Å²	47.9	69%	0.691	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	19.1	-174.5	0	0	0	0	0	113.9	Q80 I81 S82	Q80-G84 PolarHBondContact O-N 3.43Å; Q80-G84 VanDerWaalsContact O-N 3.13Å; I81-G84 PolarHBondContact O-N 3.16Å; S82-G84 VanDerWaalsContact C-N 3.32Å
85	T	93.4	Very high	96.7	Very high	72 Å²	72	50.1 Å²	50.1	44%	0.442	30%	0.296	S	S	.	.			trans	-96.2	-4.2	-174.7	56.4	0	0	0	0	113.3	Q80 K83 N140	Q80-T85 PolarHBondContact O-N 2.94Å; K83-T85 HydrophobicContact CB-CG2 3.98Å; K83-T85 PolarHBondContact O-N 3.21Å; T85-N140 VanDerWaalsContact O-CB 3.3Å; T85-N140 WeakPolarHBondContact O-CB 3.23Å; T85-N140 PolarHBondContact O-ND2 3.44Å
86	V	97.5	Very high	96.7	Very high	28 Å²	28	47.8 Å²	47.8	17%	0.17	28%	0.284	C	S	.	.			trans	-92.4	140.2	-174.7	62.2	0	0	0	0	112.2	L77 Q80 I81 L88 I142	L77-V86 HydrophobicContact CD1-CG2 4.37Å; Q80-V86 HydrophobicContact CB-CB 3.9Å; Q80-V86 HydrophobicContact CB-CG1 4.41Å; I81-V86 HydrophobicContact CB-CG1 4.44Å; I81-V86 HydrophobicContact CG1-CG1 3.72Å; V86-L88 HydrophobicContact CG1-CB 4.42Å; V86-L88 HydrophobicContact CG2-CB 4.1Å; V86-I142 HydrophobicContact CG2-CB 4.17Å; V86-I142 HydrophobicContact CG2-CD1 3.59Å; V86-I142 HydrophobicContact CG2-CG1 3.87Å
87	Q	98.4	Very high	96.8	Very high	43 Å²	43	44.6 Å²	44.6	20%	0.201	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	95.8	164.8	-64.2	-176.9	79.7	0	0	108.2	F89 D138 N140 V141 I142	Q87-F89 HydrophobicContact CB-CE2 4.1Å; Q87-F89 HydrophobicContact CB-CZ 4.46Å; Q87-D138 PolarHBondContact NE2-OD2 3.38Å; Q87-N140 PolarHBondContact N-O 3.18Å; Q87-N140 PolarHBondContact NE2-OD1 3.15Å; Q87-V141 HydrophobicContact CB-CG2 4.43Å; Q87-I142 PolarHBondContact O-N 3.44Å
88	L	98.5	Very high	96.8	Very high	5 Å²	5	52.2 Å²	52.2	3%	0.026	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	124.8	-170.5	-171.1	62.2	0	0	0	111.7	L77 I81 V86 I103 S106 V107 I142 Y144	L77-L88 HydrophobicContact CD1-CD1 3.92Å; L77-L88 HydrophobicContact CD1-CD2 4.39Å; I81-L88 HydrophobicContact CD1-CD2 4.05Å; I81-L88 HydrophobicContact CG1-CD2 4.46Å; V86-L88 HydrophobicContact CG1-CB 4.42Å; V86-L88 HydrophobicContact CG2-CB 4.1Å; L88-I103 HydrophobicContact CD2-CB 3.82Å; L88-I103 HydrophobicContact CD2-CD1 4.27Å; L88-I103 HydrophobicContact CD2-CG2 3.43Å; L88-I103 VanDerWaalsContact CD2-CG2 3.43Å; L88-S106 CarbonylContact O-C 3.47Å; L88-S106 VanDerWaalsContact O-CA 3.28Å; L88-S106 WeakPolarHBondContact O-CA 3.31Å; L88-V107 PolarHBondContact O-N 3.38Å; L88-I142 HydrophobicContact CD1-CB 3.84Å; L88-I142 HydrophobicContact CD1-CG2 3.74Å; L88-Y144 HydrophobicContact CD1-CD1 3.66Å; L88-Y144 HydrophobicContact CD1-CE1 4.2Å; L88-Y144 HydrophobicContact CD2-CD1 4.24Å; L88-Y144 HydrophobicContact CD2-CE1 4.02Å; L88-Y144 HydrophobicContact CG-CD1 3.82Å; L88-Y144 HydrophobicContact CG-CE1 3.82Å
89	F	98.7	Very high	96.9	Very high	4 Å²	4	54.9 Å²	54.9	2%	0.018	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	122.2	-178	-61.5	-71.7	0	0	0	111.9	Q87 V107 I109 F125 P134 V141 I142 F143 Y144	Q87-F89 HydrophobicContact CB-CE2 4.1Å; Q87-F89 HydrophobicContact CB-CZ 4.46Å; F89-V107 CarbonylContact C-O 3.54Å; F89-V107 VanDerWaalsContact CA-O 3.32Å; F89-V107 WeakPolarHBondContact CA-O 3.43Å; F89-V107 HydrophobicContact CD1-CB 4Å; F89-V107 HydrophobicContact CD1-CG1 4.39Å; F89-V107 HydrophobicContact CE1-CB 4.2Å; F89-V107 HydrophobicContact CE1-CG1 4.48Å; F89-I109 HydrophobicContact CD1-CD1 3.44Å; F89-I109 VanDerWaalsContact CD1-CD1 3.44Å; F89-I109 HydrophobicContact CD1-CG1 3.96Å; F89-I109 HydrophobicContact CE1-CD1 3.71Å; F89-I109 HydrophobicContact CG-CD1 4.31Å; F89-F125 HydrophobicContact CE1-CZ 4.07Å; F89-F125 HydrophobicContact CZ-CZ 4.35Å; F89-P134 HydrophobicContact CE2-CB 4.34Å; F89-P134 HydrophobicContact CE2-CG 3.98Å; F89-P134 HydrophobicContact CZ-CB 4.43Å; F89-P134 HydrophobicContact CZ-CG 3.88Å; F89-V141 HydrophobicContact CD2-CG1 4.16Å; F89-V141 HydrophobicContact CE2-CG1 4.02Å; F89-I142 PolarHBondContact N-O 3Å; F89-F143 HydrophobicContact CB-CD1 3.68Å; F89-F143 HydrophobicContact CB-CE1 3.87Å; F89-F143 HydrophobicContact CD2-CD1 4.25Å; F89-F143 AromaticContact CD2-CE1 3.74Å; F89-F143 HydrophobicContact CD2-CE1 3.74Å; F89-F143 HydrophobicContact CD2-CZ 4.33Å; F89-F143 HydrophobicContact CG-CD1 4.36Å; F89-F143 HydrophobicContact CG-CE1 4.06Å; F89-Y144 WeakPolarHBondContact O-CD1 3.34Å; F89-Y144 PolarHBondContact O-N 3.09Å
90	D	98.6	Very high	96.8	Very high	0 Å²	0	56 Å²	56	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	113.1	173.7	-168	-30.4	0	0	0	109.4	R92 V97 V107 N108 I109 Y144	D90-R92 VanDerWaalsContact OD1-CB 3.23Å; D90-R92 WeakPolarHBondContact OD1-CB 3.29Å; D90-R92 WeakPolarHBondContact OD1-CG 3.41Å; D90-R92 PolarHBondContact OD1-N 2.92Å; D90-R92 IonicContact OD1-NE 3.14Å; D90-R92 PolarHBondContact OD1-NE 3.27Å; D90-R92 VanDerWaalsContact OD1-NE 3.13Å; D90-R92 IonicContact OD2-CZ 2.93Å; D90-R92 IonicContact OD2-NE 3.13Å; D90-R92 PolarHBondContact OD2-NE 2.89Å; D90-R92 IonicContact OD2-NH2 3.22Å; D90-R92 PolarHBondContact OD2-NH2 3.25Å; D90-V97 WeakPolarHBondContact OD2-CG2 3.3Å; D90-V107 PolarHBondContact N-O 2.93Å; D90-N108 HydrophobicContact CB-CB 4.45Å; D90-N108 WeakPolarHBondContact O-CA 3.49Å; D90-N108 PolarHBondContact O-ND2 3.17Å; D90-I109 CarbonylContact O-C 3.56Å; D90-I109 PolarHBondContact O-N 2.82Å; D90-Y144 WeakPolarHBondContact CA-O 3.45Å; D90-Y144 HydrophobicContact CB-CE1 3.7Å; D90-Y144 HydrophobicContact CB-CE2 4.04Å; D90-Y144 VanDerWaalsContact CB-CZ 3.41Å; D90-Y144 VanDerWaalsContact CB-OH 3.25Å; D90-Y144 WeakPolarHBondContact CB-OH 3.3Å; D90-Y144 WeakPolarHBondContact OD2-CE2 3.24Å; D90-Y144 VanDerWaalsContact OD2-CZ 3.23Å; D90-Y144 PolarHBondContact OD2-OH 2.93Å
91	V	98.5	Very high	96.8	Very high	3 Å²	3	55.3 Å²	55.3	2%	0.018	33%	0.332	C	S	.	.			trans	-93.9	9.2	-176.4	-56.8	0	0	0	0	114.6	I109 L111 L114 F143 Y144 A154	V91-I109 WeakPolarHBondContact CA-O 3.39Å; V91-L111 HydrophobicContact CB-CB 4.33Å; V91-L111 PolarHBondContact O-N 2.96Å; V91-L114 HydrophobicContact CG1-CD1 4.43Å; V91-L114 HydrophobicContact CG1-CD2 4.28Å; V91-F143 HydrophobicContact CG1-CB 4.43Å; V91-F143 HydrophobicContact CG1-CD1 3.95Å; V91-Y144 WeakPolarHBondContact CG2-O 3.06Å; V91-Y144 PolarHBondContact N-O 2.68Å; V91-A154 HydrophobicContact CB-CB 4.27Å; V91-A154 HydrophobicContact CG1-CB 3.71Å; V91-A154 HydrophobicContact CG2-CB 4.01Å
92	R	98	Very high	96.8	Very high	10 Å²	10	55.6 Å²	55.6	4%	0.038	34%	0.337	C	S	.	.	S	Bend	trans	-72.2	168.6	174.7	-61.6	-178.2	-57	156.3	4.8	112.3	D90 D96 V97 T100 G101 N108 P110 L146 W173	D90-R92 VanDerWaalsContact OD1-CB 3.23Å; D90-R92 WeakPolarHBondContact OD1-CB 3.29Å; D90-R92 WeakPolarHBondContact OD1-CG 3.41Å; D90-R92 PolarHBondContact OD1-N 2.92Å; D90-R92 IonicContact OD1-NE 3.14Å; D90-R92 PolarHBondContact OD1-NE 3.27Å; D90-R92 VanDerWaalsContact OD1-NE 3.13Å; D90-R92 IonicContact OD2-CZ 2.93Å; D90-R92 IonicContact OD2-NE 3.13Å; D90-R92 PolarHBondContact OD2-NE 2.89Å; D90-R92 IonicContact OD2-NH2 3.22Å; D90-R92 PolarHBondContact OD2-NH2 3.25Å; R92-D96 HydrophobicContact CB-CB 4.3Å; R92-V97 HydrophobicContact CB-CG2 4.29Å; R92-T100 PolarHBondContact NH1-OG1 2.91Å; R92-G101 PolarHBondContact NH2-O 3.22Å; R92-N108 PolarHBondContact O-ND2 3.27Å; R92-P110 WeakPolarHBondContact O-CA 3.29Å; R92-L146 HydrophobicContact CG-CB 4.26Å; R92-L146 VanDerWaalsContact CG-N 3.35Å; R92-W173 VanDerWaalsContact NH1-CD1 3.3Å
93	S	97.3	Very high	96.8	Very high	58 Å²	58	50.7 Å²	50.7	41%	0.406	30%	0.303	S	S	.	.			trans	-59.2	143.6	169.2	-178.7	0	0	0	0	110.4	D95 D96 V97	S93-D95 PolarHBondContact O-N 2.79Å; S93-D95 PolarHBondContact OG-N 3.4Å; S93-D96 WeakPolarHBondContact O-CB 3.32Å; S93-D96 PolarHBondContact O-N 2.83Å; S93-D96 VanDerWaalsContact O-N 3.13Å; S93-V97 PolarHBondContact O-N 2.99Å; S93-V97 VanDerWaalsContact O-N 3.15Å
94	S	96.8	Very high	96.7	Very high	42 Å²	42	47.7 Å²	47.7	29%	0.294	30%	0.298	S	S	.	.	H	α-helix	trans	-60.4	-27.4	177.5	-59	0	0	0	0	112.7	V97 K98 N108 P110	S94-V97 PolarHBondContact O-N 3.47Å; S94-K98 WeakPolarHBondContact O-CG 3.28Å; S94-K98 PolarHBondContact O-N 2.89Å; S94-N108 WeakPolarHBondContact CA-OD1 3.32Å; S94-N108 PolarHBondContact OG-OD1 3.05Å; S94-P110 WeakPolarHBondContact OG-CG 3.27Å
95	D	97.5	Very high	96.7	Very high	101 Å²	101	48.3 Å²	48.3	54%	0.54	30%	0.304	S	S	.	.	H	α-helix	trans	-75.4	-33.8	177.4	-62.6	-28.4	0	0	0	112.6	S93 V97 K98 S99	S93-D95 PolarHBondContact O-N 2.79Å; S93-D95 PolarHBondContact OG-N 3.4Å; D95-V97 VanDerWaalsContact C-N 3.32Å; D95-K98 PolarHBondContact O-N 3.04Å; D95-K98 IonicContact OD1-NZ 3.52Å; D95-K98 PolarHBondContact OD1-NZ 3.16Å; D95-K98 VanDerWaalsContact OD1-NZ 3.14Å; D95-S99 WeakPolarHBondContact O-CB 3.39Å; D95-S99 PolarHBondContact O-N 2.96Å; D95-S99 PolarHBondContact O-OG 3.46Å
96	D	95.1	Very high	96.9	Very high	71 Å²	71	45.8 Å²	45.8	38%	0.38	29%	0.29	S	S	.	.	H	α-helix	trans	-64.5	-41.3	171.4	-64.2	-31.5	0	0	0	110.6	R92 S93 S99 T100	R92-D96 HydrophobicContact CB-CB 4.3Å; S93-D96 WeakPolarHBondContact O-CB 3.32Å; S93-D96 PolarHBondContact O-N 2.83Å; S93-D96 VanDerWaalsContact O-N 3.13Å; D96-S99 WeakPolarHBondContact CA-OG 3.16Å; D96-S99 PolarHBondContact O-N 2.95Å; D96-S99 PolarHBondContact O-OG 2.8Å; D96-T100 WeakPolarHBondContact O-CB 3.5Å; D96-T100 PolarHBondContact O-N 3.39Å; D96-T100 PolarHBondContact O-OG1 3.39Å
97	V	97.6	Very high	97	Very high	23 Å²	23	45.7 Å²	45.7	14%	0.139	29%	0.289	C	S	.	.	H	α-helix	trans	-64.7	-45.3	177.1	175.1	0	0	0	0	111.2	D90 R92 S93 S94 D95 S99 G101 N108	D90-V97 WeakPolarHBondContact OD2-CG2 3.3Å; R92-V97 HydrophobicContact CB-CG2 4.29Å; S93-V97 PolarHBondContact O-N 2.99Å; S93-V97 VanDerWaalsContact O-N 3.15Å; S94-V97 PolarHBondContact O-N 3.47Å; D95-V97 VanDerWaalsContact C-N 3.32Å; V97-S99 VanDerWaalsContact C-N 3.31Å; V97-S99 PolarHBondContact O-N 3.48Å; V97-G101 CarbonylContact O-C 3.55Å; V97-G101 WeakPolarHBondContact O-CA 3.46Å; V97-G101 PolarHBondContact O-N 3.01Å; V97-N108 HydrophobicContact CG1-CB 4.45Å; V97-N108 HydrophobicContact CG2-CB 4.28Å
98	K	96.9	Very high	97	Very high	160 Å²	160	45.4 Å²	45.4	70%	0.696	29%	0.289	S	S	*	.	H	α-helix	trans	-62.7	-37.7	177.5	-72.5	166.5	-165.7	164.3	0	112.5	S94 D95	S94-K98 WeakPolarHBondContact O-CG 3.28Å; S94-K98 PolarHBondContact O-N 2.89Å; D95-K98 PolarHBondContact O-N 3.04Å; D95-K98 IonicContact OD1-NZ 3.52Å; D95-K98 PolarHBondContact OD1-NZ 3.16Å; D95-K98 VanDerWaalsContact OD1-NZ 3.14Å
99	S	96.2	Very high	97	Very high	90 Å²	90	45.2 Å²	45.2	63%	0.629	29%	0.288	S	S	*	.	H	α-helix	trans	-81	-38.1	-175.9	56.1	0	0	0	0	113.6	D95 D96 V97	D95-S99 WeakPolarHBondContact O-CB 3.39Å; D95-S99 PolarHBondContact O-N 2.96Å; D95-S99 PolarHBondContact O-OG 3.46Å; D96-S99 WeakPolarHBondContact CA-OG 3.16Å; D96-S99 PolarHBondContact O-N 2.95Å; D96-S99 PolarHBondContact O-OG 2.8Å; V97-S99 VanDerWaalsContact C-N 3.31Å; V97-S99 PolarHBondContact O-N 3.48Å
100	T	94.3	Very high	97	Very high	72 Å²	72	46 Å²	46	44%	0.442	29%	0.294	S	S	.	.	H	α-helix	trans	-106.3	-14.5	-173.9	62.8	0	0	0	0	114	R92 D96 W173	R92-T100 PolarHBondContact NH1-OG1 2.91Å; D96-T100 WeakPolarHBondContact O-CB 3.5Å; D96-T100 PolarHBondContact O-N 3.39Å; D96-T100 PolarHBondContact O-OG1 3.39Å; T100-W173 WeakPolarHBondContact O-CZ2 3.49Å
101	G	95.4	Very high	97	Very high	31 Å²	31	48.7 Å²	48.7	32%	0.32	31%	0.308	S	S	.	.			trans	81.9	-176.9	-168	0	0	0	0	0	112.3	R92 V97	R92-G101 PolarHBondContact NH2-O 3.22Å; V97-G101 CarbonylContact O-C 3.55Å; V97-G101 WeakPolarHBondContact O-CA 3.46Å; V97-G101 PolarHBondContact O-N 3.01Å
102	S	96.6	Very high	96.9	Very high	42 Å²	42	52.8 Å²	52.8	29%	0.294	34%	0.342	S	S	.	.			trans	-138.6	173.4	-178.5	58.6	0	0	0	0	111.3	S106 Y144 W173	S102-S106 WeakPolarHBondContact CB-OG 3.4Å; S102-Y144 WeakPolarHBondContact CB-OH 3.22Å; S102-W173 WeakPolarHBondContact O-CZ3 3.18Å
103	I	96.7	Very high	96.9	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	36%	0.356	C	S	.	.			trans	-67	132.8	173.8	-60.4	-176	0	0	0	108.1	L77 I81 L88 G105 S106 Y144 W173 W176	L77-I103 HydrophobicContact CD2-CD1 4.35Å; I81-I103 HydrophobicContact CD1-CG2 3.6Å; L88-I103 HydrophobicContact CD2-CB 3.82Å; L88-I103 HydrophobicContact CD2-CD1 4.27Å; L88-I103 HydrophobicContact CD2-CG2 3.43Å; L88-I103 VanDerWaalsContact CD2-CG2 3.43Å; I103-G105 PolarHBondContact O-N 3.07Å; I103-S106 VanDerWaalsContact O-CB 3.23Å; I103-S106 WeakPolarHBondContact O-CB 3.48Å; I103-S106 PolarHBondContact O-N 3.41Å; I103-S106 PolarHBondContact O-OG 3.02Å; I103-Y144 HydrophobicContact CB-CE1 4.03Å; I103-Y144 HydrophobicContact CD1-CD1 3.94Å; I103-Y144 HydrophobicContact CD1-CD2 3.91Å; I103-Y144 HydrophobicContact CD1-CE1 3.82Å; I103-Y144 HydrophobicContact CD1-CE2 3.84Å; I103-Y144 HydrophobicContact CD1-CG 3.96Å; I103-Y144 HydrophobicContact CG1-CD2 4.43Å; I103-Y144 HydrophobicContact CG1-CE1 3.97Å; I103-Y144 HydrophobicContact CG1-CE2 3.85Å; I103-Y144 PolarHBondContact N-OH 3.22Å; I103-W173 HydrophobicContact CG1-CE3 3.95Å; I103-W173 HydrophobicContact CG1-CZ3 4.01Å; I103-W176 HydrophobicContact CB-CD2 4.48Å; I103-W176 HydrophobicContact CD1-CB 4.04Å; I103-W176 HydrophobicContact CD1-CD2 3.64Å; I103-W176 HydrophobicContact CD1-CE3 3.86Å; I103-W176 HydrophobicContact CD1-CG 3.7Å; I103-W176 HydrophobicContact CG1-CB 4.26Å; I103-W176 HydrophobicContact CG1-CD2 3.75Å; I103-W176 HydrophobicContact CG1-CE3 4.43Å; I103-W176 HydrophobicContact CG1-CG 3.61Å; I103-W176 HydrophobicContact CG2-CD2 4.06Å; I103-W176 HydrophobicContact CG2-CE3 4.41Å; I103-W176 HydrophobicContact CG2-CH2 4.01Å; I103-W176 HydrophobicContact CG2-CZ2 3.58Å; I103-W176 HydrophobicContact CG2-CZ3 4.38Å
104	P	94.5	Very high	96.9	Very high	79 Å²	79	52.6 Å²	52.6	51%	0.513	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	135.2	178.9	-27	35.3	0	0	0	112.5	S106	P104-S106 PolarHBondContact O-N 3.31Å
105	G	95.1	Very high	97	Very high	80 Å²	80	56.1 Å²	56.1	83%	0.825	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.6	-0.4	-177.7	0	0	0	0	0	115.1	I103	I103-G105 PolarHBondContact O-N 3.07Å
106	S	97.7	Very high	97	Very high	20 Å²	20	58.3 Å²	58.3	14%	0.14	35%	0.352	C	S	.	.			trans	-78.5	150.5	174	67	0	0	0	0	113	L88 S102 I103 P104 Y144	L88-S106 CarbonylContact O-C 3.47Å; L88-S106 VanDerWaalsContact O-CA 3.28Å; L88-S106 WeakPolarHBondContact O-CA 3.31Å; S102-S106 WeakPolarHBondContact CB-OG 3.4Å; I103-S106 VanDerWaalsContact O-CB 3.23Å; I103-S106 WeakPolarHBondContact O-CB 3.48Å; I103-S106 PolarHBondContact O-N 3.41Å; I103-S106 PolarHBondContact O-OG 3.02Å; P104-S106 PolarHBondContact O-N 3.31Å; S106-Y144 PolarHBondContact OG-OH 3.13Å; S106-Y144 VanDerWaalsContact OG-OH 3.09Å
107	V	98.4	Very high	97.2	Very high	26 Å²	26	55 Å²	55	16%	0.158	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	126.7	174.1	176.2	0	0	0	0	109.1	L88 F89 D90 I109 Y129 V131	L88-V107 PolarHBondContact O-N 3.38Å; F89-V107 CarbonylContact C-O 3.54Å; F89-V107 VanDerWaalsContact CA-O 3.32Å; F89-V107 WeakPolarHBondContact CA-O 3.43Å; F89-V107 HydrophobicContact CD1-CB 4Å; F89-V107 HydrophobicContact CD1-CG1 4.39Å; F89-V107 HydrophobicContact CE1-CB 4.2Å; F89-V107 HydrophobicContact CE1-CG1 4.48Å; D90-V107 PolarHBondContact N-O 2.93Å; V107-I109 HydrophobicContact CG1-CG1 4.17Å; V107-I109 PolarHBondContact O-N 2.99Å; V107-Y129 HydrophobicContact CG1-CD1 3.88Å; V107-Y129 HydrophobicContact CG1-CG 4.2Å; V107-V131 HydrophobicContact CB-CG2 4.5Å; V107-V131 HydrophobicContact CG1-CG2 4.21Å; V107-V131 HydrophobicContact CG2-CB 4.42Å; V107-V131 HydrophobicContact CG2-CG1 3.76Å; V107-V131 HydrophobicContact CG2-CG2 3.81Å
108	N	98.6	Very high	97.2	Very high	37 Å²	37	54.2 Å²	54.2	20%	0.198	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	119.7	177.6	178.3	-129.1	0	0	0	111.4	D90 R92 S94 V97	D90-N108 HydrophobicContact CB-CB 4.45Å; D90-N108 WeakPolarHBondContact O-CA 3.49Å; D90-N108 PolarHBondContact O-ND2 3.17Å; R92-N108 PolarHBondContact O-ND2 3.27Å; S94-N108 WeakPolarHBondContact CA-OD1 3.32Å; S94-N108 PolarHBondContact OG-OD1 3.05Å; V97-N108 HydrophobicContact CG1-CB 4.45Å; V97-N108 HydrophobicContact CG2-CB 4.28Å
109	I	98.5	Very high	97.2	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	32%	0.321	C	S	.	.			trans	-131.5	92.3	171.6	-52.3	-171.8	0	0	0	107.1	F89 D90 V91 V107 L111 L114 F125 Y129	F89-I109 HydrophobicContact CD1-CD1 3.44Å; F89-I109 VanDerWaalsContact CD1-CD1 3.44Å; F89-I109 HydrophobicContact CD1-CG1 3.96Å; F89-I109 HydrophobicContact CE1-CD1 3.71Å; F89-I109 HydrophobicContact CG-CD1 4.31Å; D90-I109 CarbonylContact O-C 3.56Å; D90-I109 PolarHBondContact O-N 2.82Å; V91-I109 WeakPolarHBondContact CA-O 3.39Å; V107-I109 HydrophobicContact CG1-CG1 4.17Å; V107-I109 PolarHBondContact O-N 2.99Å; I109-L111 PolarHBondContact O-N 3.2Å; I109-L114 HydrophobicContact CB-CD1 4.28Å; I109-L114 HydrophobicContact CG2-CB 4.34Å; I109-L114 HydrophobicContact CG2-CD1 3.81Å; I109-F125 HydrophobicContact CD1-CE2 3.98Å; I109-F125 HydrophobicContact CD1-CZ 3.82Å; I109-Y129 HydrophobicContact CB-CE1 4.36Å; I109-Y129 HydrophobicContact CD1-CD1 4.32Å; I109-Y129 HydrophobicContact CD1-CD2 4.28Å; I109-Y129 HydrophobicContact CD1-CE1 4.18Å; I109-Y129 HydrophobicContact CD1-CE2 4.13Å; I109-Y129 HydrophobicContact CD1-CG 4.38Å; I109-Y129 HydrophobicContact CG1-CD1 3.95Å; I109-Y129 HydrophobicContact CG1-CE1 3.62Å; I109-Y129 HydrophobicContact CG1-CE2 4.43Å; I109-Y129 HydrophobicContact CG1-CG 4.5Å; I109-Y129 HydrophobicContact CG2-CE1 4.45Å
110	P	98.4	Very high	97.3	Very high	22 Å²	22	49.3 Å²	49.3	14%	0.143	30%	0.302	C	S	.	.			trans	-51.9	141.2	-177.6	-27.8	35.1	0	0	0	112.3	R92 S94 A112 D113 L114	R92-P110 WeakPolarHBondContact O-CA 3.29Å; S94-P110 WeakPolarHBondContact OG-CG 3.27Å; P110-A112 PolarHBondContact O-N 2.9Å; P110-D113 PolarHBondContact O-N 3.46Å; P110-L114 PolarHBondContact O-N 3.4Å
111	L	98.2	Very high	97.5	Very high	56 Å²	56	48.5 Å²	48.5	29%	0.293	30%	0.299	S	S	.	.	H	α-helix	trans	-51	-36.4	-175.1	-175.9	63.9	0	0	0	113.1	V91 I109 D113 L114 A154 I157	V91-L111 HydrophobicContact CB-CB 4.33Å; V91-L111 PolarHBondContact O-N 2.96Å; I109-L111 PolarHBondContact O-N 3.2Å; L111-D113 VanDerWaalsContact C-N 3.29Å; L111-D113 PolarHBondContact O-N 3.29Å; L111-L114 HydrophobicContact CD1-CD2 4.16Å; L111-L114 WeakPolarHBondContact O-CB 3.32Å; L111-L114 PolarHBondContact O-N 3.43Å; L111-A154 HydrophobicContact CD1-CB 3.97Å; L111-I157 HydrophobicContact CD1-CD1 3.98Å
112	A	97.3	Very high	97.6	Very high	89 Å²	89	50.9 Å²	50.9	74%	0.736	31%	0.305	S	S	*	.	H	α-helix	trans	-62.5	-32.3	178.2	0	0	0	0	0	113.8	P110	P110-A112 PolarHBondContact O-N 2.9Å
113	D	97.8	Very high	97.7	Very high	63 Å²	63	53.1 Å²	53.1	34%	0.337	32%	0.321	S	S	.	.	H	α-helix	trans	-97.1	-16.2	-179.1	-73	-26.6	0	0	0	112.8	P110 L111 K115 K116 S117	P110-D113 PolarHBondContact O-N 3.46Å; L111-D113 VanDerWaalsContact C-N 3.29Å; L111-D113 PolarHBondContact O-N 3.29Å; D113-K115 VanDerWaalsContact C-N 3.35Å; D113-K115 PolarHBondContact O-N 3.02Å; D113-K116 PolarHBondContact O-N 2.87Å; D113-S117 WeakPolarHBondContact O-CB 3.28Å; D113-S117 PolarHBondContact O-N 3.37Å; D113-S117 PolarHBondContact O-OG 3.39Å
114	L	98.5	Very high	97.8	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	34%	0.342	C	S	.	.	H	α-helix	trans	-49.1	-50.8	-171.8	-176.5	67.7	0	0	0	113.2	V91 I109 P110 L111 K116 S117 L118 F143 A154 I157	V91-L114 HydrophobicContact CG1-CD1 4.43Å; V91-L114 HydrophobicContact CG1-CD2 4.28Å; I109-L114 HydrophobicContact CB-CD1 4.28Å; I109-L114 HydrophobicContact CG2-CB 4.34Å; I109-L114 HydrophobicContact CG2-CD1 3.81Å; P110-L114 PolarHBondContact O-N 3.4Å; L111-L114 HydrophobicContact CD1-CD2 4.16Å; L111-L114 WeakPolarHBondContact O-CB 3.32Å; L111-L114 PolarHBondContact O-N 3.43Å; L114-K116 PolarHBondContact O-N 3.17Å; L114-S117 PolarHBondContact O-N 2.63Å; L114-L118 HydrophobicContact CD1-CD1 4.04Å; L114-L118 HydrophobicContact CD1-CG 4.23Å; L114-L118 HydrophobicContact CG-CD1 4.09Å; L114-L118 WeakPolarHBondContact O-CG 3.48Å; L114-L118 PolarHBondContact O-N 3.06Å; L114-F143 HydrophobicContact CD1-CD1 4.31Å; L114-F143 HydrophobicContact CD1-CE1 3.78Å; L114-F143 HydrophobicContact CD2-CE1 4.47Å; L114-A154 HydrophobicContact CD2-CB 3.49Å; L114-A154 VanDerWaalsContact CD2-CB 3.49Å; L114-I157 HydrophobicContact CD2-CB 4.4Å; L114-I157 HydrophobicContact CD2-CD1 4.47Å; L114-I157 HydrophobicContact CD2-CG2 4.36Å
115	K	98.3	Very high	98	Very high	117 Å²	117	54 Å²	54	51%	0.509	32%	0.317	S	S	.	.	H	α-helix	trans	-60.4	-45.2	-179.5	-174.8	175.5	-178.3	175.7	0	111.9	D113 S117 I119 I157 L161	D113-K115 VanDerWaalsContact C-N 3.35Å; D113-K115 PolarHBondContact O-N 3.02Å; K115-S117 VanDerWaalsContact C-N 3.34Å; K115-I119 HydrophobicContact CG-CD1 4.1Å; K115-I119 VanDerWaalsContact O-CD1 3.29Å; K115-I119 WeakPolarHBondContact O-CD1 3.32Å; K115-I119 VanDerWaalsContact O-CG1 3.27Å; K115-I119 WeakPolarHBondContact O-CG1 3.2Å; K115-I119 PolarHBondContact O-N 2.62Å; K115-I157 HydrophobicContact CB-CG2 3.85Å; K115-I157 HydrophobicContact CG-CG2 4.28Å; K115-L161 HydrophobicContact CG-CD1 4.4Å
116	K	98.1	Very high	98.1	Very high	147 Å²	147	55.6 Å²	55.6	64%	0.639	30%	0.302	S	S	*	.	H	α-helix	trans	-65.4	-43.1	-179.9	-63.5	176	-175.5	169.6	0	110.1	D113 L114 I119 L120	D113-K116 PolarHBondContact O-N 2.87Å; L114-K116 PolarHBondContact O-N 3.17Å; K116-I119 PolarHBondContact O-N 2.74Å; K116-L120 PolarHBondContact O-N 3.5Å
117	S	98.2	Very high	98.2	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.007	33%	0.332	C	S	.	.	H	α-helix	trans	-64.5	-42	-179.2	-65.7	0	0	0	0	113.1	D113 L114 K115 I119 L120 F125 Y129	D113-S117 WeakPolarHBondContact O-CB 3.28Å; D113-S117 PolarHBondContact O-N 3.37Å; D113-S117 PolarHBondContact O-OG 3.39Å; L114-S117 PolarHBondContact O-N 2.63Å; K115-S117 VanDerWaalsContact C-N 3.34Å; S117-I119 PolarHBondContact O-N 3.04Å; S117-L120 WeakPolarHBondContact O-CB 3.43Å; S117-L120 PolarHBondContact O-N 2.84Å; S117-F125 WeakPolarHBondContact O-CD2 3.49Å; S117-Y129 WeakPolarHBondContact CB-OH 3.34Å; S117-Y129 PolarHBondContact OG-OH 3.03Å
118	L	97.9	Very high	98.2	Very high	6 Å²	6	66.5 Å²	66.5	3%	0.031	35%	0.347	C	S	.	.	H	α-helix	trans	-70.3	-14.6	178.4	-68.5	178.2	0	0	0	113.7	L114 K133 P134 F143 A158 L161 F163	L114-L118 HydrophobicContact CD1-CD1 4.04Å; L114-L118 HydrophobicContact CD1-CG 4.23Å; L114-L118 HydrophobicContact CG-CD1 4.09Å; L114-L118 WeakPolarHBondContact O-CG 3.48Å; L114-L118 PolarHBondContact O-N 3.06Å; L118-K133 WeakPolarHBondContact O-CE 3.5Å; L118-K133 PolarHBondContact O-NZ 3.42Å; L118-P134 HydrophobicContact CD2-CG 4Å; L118-F143 HydrophobicContact CD1-CZ 4.34Å; L118-A158 HydrophobicContact CD1-CB 4.16Å; L118-L161 HydrophobicContact CB-CD1 3.56Å; L118-L161 HydrophobicContact CD1-CD1 4.03Å; L118-L161 HydrophobicContact CG-CD1 4.45Å; L118-F163 HydrophobicContact CB-CE2 4.29Å; L118-F163 HydrophobicContact CD1-CE2 4.31Å; L118-F163 HydrophobicContact CD2-CE2 4.32Å; L118-F163 HydrophobicContact CD2-CZ 4.25Å
119	I	97.4	Very high	98.1	Very high	103 Å²	103	66.4 Å²	66.4	53%	0.528	35%	0.345	S	S	.	.	H	α-helix	trans	-91.3	-20.4	177.4	-63.2	165.1	0	0	0	112.1	K115 K116 S117 L161	K115-I119 HydrophobicContact CG-CD1 4.1Å; K115-I119 VanDerWaalsContact O-CD1 3.29Å; K115-I119 WeakPolarHBondContact O-CD1 3.32Å; K115-I119 VanDerWaalsContact O-CG1 3.27Å; K115-I119 WeakPolarHBondContact O-CG1 3.2Å; K115-I119 PolarHBondContact O-N 2.62Å; K116-I119 PolarHBondContact O-N 2.74Å; S117-I119 PolarHBondContact O-N 3.04Å; I119-L161 HydrophobicContact CD1-CD2 3.96Å; I119-L161 HydrophobicContact CG1-CD1 4.21Å; I119-L161 HydrophobicContact CG1-CD2 3.88Å
120	L	98	Very high	98.1	Very high	45 Å²	45	68.9 Å²	68.9	24%	0.236	37%	0.37	C	S	.	.	S	Bend	trans	-52.5	157.2	-180	-67.2	176.1	0	0	0	113.5	K116 S117 E124 F125 K128 K133	K116-L120 PolarHBondContact O-N 3.5Å; S117-L120 WeakPolarHBondContact O-CB 3.43Å; S117-L120 PolarHBondContact O-N 2.84Å; L120-E124 HydrophobicContact CB-CB 4.16Å; L120-E124 HydrophobicContact CD1-CB 4.45Å; L120-E124 HydrophobicContact CD2-CB 4.38Å; L120-F125 HydrophobicContact CB-CB 4.45Å; L120-K128 HydrophobicContact CD1-CD 4.27Å; L120-K133 WeakPolarHBondContact O-CD 3.45Å; L120-K133 WeakPolarHBondContact O-CE 3.32Å; L120-K133 PolarHBondContact O-NZ 3.25Å
121	S	98	Very high	98	Very high	55 Å²	55	70.2 Å²	70.2	39%	0.385	38%	0.378	S	S	.	.			trans	-63.8	159.5	168.5	67.3	0	0	0	0	111.5	S123 E124 F125	S121-S123 PolarHBondContact O-N 3.22Å; S121-E124 WeakPolarHBondContact CB-OE2 3.36Å; S121-E124 PolarHBondContact N-OE2 3.46Å; S121-E124 PolarHBondContact O-N 2.81Å; S121-E124 WeakPolarHBondContact OG-CB 3.44Å; S121-E124 VanDerWaalsContact OG-CD 3.28Å; S121-E124 VanDerWaalsContact OG-CG 3.22Å; S121-E124 WeakPolarHBondContact OG-CG 3.47Å; S121-E124 PolarHBondContact OG-N 3.33Å; S121-E124 PolarHBondContact OG-OE2 2.88Å; S121-F125 WeakPolarHBondContact O-CB 3.35Å; S121-F125 PolarHBondContact O-N 2.97Å
122	D	98.2	Very high	97.9	Very high	81 Å²	81	71.9 Å²	71.9	43%	0.433	39%	0.394	S	S	.	.	H	α-helix	trans	-56.5	-39.6	178.4	-71.4	-21.8	0	0	0	112	F126 K135	D122-F126 WeakPolarHBondContact O-CB 3.04Å; D122-F126 PolarHBondContact O-N 3.03Å; D122-K135 IonicContact OD1-NZ 2.81Å; D122-K135 PolarHBondContact OD1-NZ 3.43Å; D122-K135 IonicContact OD2-NZ 2.64Å; D122-K135 PolarHBondContact OD2-NZ 2.87Å
123	S	98.3	Very high	97.9	Very high	89 Å²	89	69.4 Å²	69.4	62%	0.622	37%	0.366	S	S	*	.	H	α-helix	trans	-67.5	-46.2	179.8	-172.4	0	0	0	0	112.1	S121 F126 Q127	S121-S123 PolarHBondContact O-N 3.22Å; S123-F126 PolarHBondContact O-N 3.4Å; S123-Q127 WeakPolarHBondContact O-CB 3.43Å; S123-Q127 PolarHBondContact O-N 2.73Å
124	E	98.5	Very high	97.9	Very high	96 Å²	96	66.5 Å²	66.5	45%	0.449	35%	0.351	S	S	.	.	H	α-helix	trans	-66.4	-39	179.1	-70.5	167.5	129.3	0	0	111.6	L120 S121 Q127 K128	L120-E124 HydrophobicContact CB-CB 4.16Å; L120-E124 HydrophobicContact CD1-CB 4.45Å; L120-E124 HydrophobicContact CD2-CB 4.38Å; S121-E124 WeakPolarHBondContact CB-OE2 3.36Å; S121-E124 PolarHBondContact N-OE2 3.46Å; S121-E124 PolarHBondContact O-N 2.81Å; S121-E124 WeakPolarHBondContact OG-CB 3.44Å; S121-E124 VanDerWaalsContact OG-CD 3.28Å; S121-E124 VanDerWaalsContact OG-CG 3.22Å; S121-E124 WeakPolarHBondContact OG-CG 3.47Å; S121-E124 PolarHBondContact OG-N 3.33Å; S121-E124 PolarHBondContact OG-OE2 2.88Å; E124-Q127 PolarHBondContact O-N 3.09Å; E124-K128 WeakPolarHBondContact O-CB 3.15Å; E124-K128 PolarHBondContact O-N 3.37Å
125	F	98.6	Very high	97.9	Very high	0 Å²	0	70.6 Å²	70.6	0%	0	37%	0.369	C	S	.	.	H	α-helix	trans	-63	-45.9	176.1	-170.3	-85.9	0	0	0	111.1	F89 I109 S117 L120 S121 K128 Y129 V131 K133	F89-F125 HydrophobicContact CE1-CZ 4.07Å; F89-F125 HydrophobicContact CZ-CZ 4.35Å; I109-F125 HydrophobicContact CD1-CE2 3.98Å; I109-F125 HydrophobicContact CD1-CZ 3.82Å; S117-F125 WeakPolarHBondContact O-CD2 3.49Å; L120-F125 HydrophobicContact CB-CB 4.45Å; S121-F125 WeakPolarHBondContact O-CB 3.35Å; S121-F125 PolarHBondContact O-N 2.97Å; F125-K128 PolarHBondContact O-N 2.95Å; F125-Y129 HydrophobicContact CD1-CD2 4.18Å; F125-Y129 AromaticContact CD2-CD2 3.74Å; F125-Y129 HydrophobicContact CD2-CD2 3.74Å; F125-Y129 HydrophobicContact CD2-CE2 4.03Å; F125-Y129 HydrophobicContact CE1-CD2 4.12Å; F125-Y129 AromaticContact CE2-CD2 3.65Å; F125-Y129 HydrophobicContact CE2-CD2 3.65Å; F125-Y129 AromaticContact CE2-CE2 3.9Å; F125-Y129 HydrophobicContact CE2-CE2 3.9Å; F125-Y129 HydrophobicContact CG-CD2 4.02Å; F125-Y129 AromaticContact CZ-CD2 3.85Å; F125-Y129 HydrophobicContact CZ-CD2 3.85Å; F125-Y129 HydrophobicContact CZ-CE2 4.47Å; F125-Y129 HydrophobicContact CZ-CG 4.44Å; F125-Y129 PolarHBondContact O-N 3.39Å; F125-V131 WeakPolarHBondContact CD1-O 3.33Å; F125-V131 HydrophobicContact CE1-CG2 3.88Å; F125-K133 HydrophobicContact CB-CB 3.86Å; F125-K133 HydrophobicContact CB-CD 4.33Å; F125-K133 HydrophobicContact CB-CG 4.12Å; F125-K133 HydrophobicContact CD1-CB 3.67Å; F125-K133 HydrophobicContact CD1-CG 4.15Å; F125-K133 HydrophobicContact CD2-CB 4.41Å; F125-K133 HydrophobicContact CD2-CG 4.02Å; F125-K133 HydrophobicContact CE1-CB 4.29Å; F125-K133 HydrophobicContact CE2-CG 4.48Å; F125-K133 HydrophobicContact CG-CB 3.72Å; F125-K133 HydrophobicContact CG-CD 4.49Å; F125-K133 HydrophobicContact CG-CG 3.83Å
126	F	98.3	Very high	97.8	Very high	114 Å²	114	68.8 Å²	68.8	50%	0.5	37%	0.368	S	S	.	.	H	α-helix	trans	-62	-43.5	176.3	-176.7	-97.5	0	0	0	112	D122 S123 K128 G130 V131	D122-F126 WeakPolarHBondContact O-CB 3.04Å; D122-F126 PolarHBondContact O-N 3.03Å; S123-F126 PolarHBondContact O-N 3.4Å; F126-K128 VanDerWaalsContact C-N 3.3Å; F126-K128 PolarHBondContact O-N 3.48Å; F126-G130 WeakPolarHBondContact O-CA 3.28Å; F126-G130 PolarHBondContact O-N 3.34Å; F126-V131 WeakPolarHBondContact CA-O 3.25Å
127	Q	98.4	Very high	97.8	Very high	163 Å²	163	65.9 Å²	65.9	76%	0.762	37%	0.366	S	S	*	.	H	α-helix	trans	-62.3	-38.2	176.8	-174.1	179.9	7.4	0	0	112.3	S123 E124	S123-Q127 WeakPolarHBondContact O-CB 3.43Å; S123-Q127 PolarHBondContact O-N 2.73Å; E124-Q127 PolarHBondContact O-N 3.09Å
128	K	97.9	Very high	97.7	Very high	112 Å²	112	67.8 Å²	67.8	49%	0.487	38%	0.376	S	S	.	.	H	α-helix	trans	-78.4	-39.1	-177.1	-171.8	172.6	-179.4	-173.7	0	113.2	L120 E124 F125 F126	L120-K128 HydrophobicContact CD1-CD 4.27Å; E124-K128 WeakPolarHBondContact O-CB 3.15Å; E124-K128 PolarHBondContact O-N 3.37Å; F125-K128 PolarHBondContact O-N 2.95Å; F126-K128 VanDerWaalsContact C-N 3.3Å; F126-K128 PolarHBondContact O-N 3.48Å
129	Y	98	Very high	97.6	Very high	36 Å²	36	70.2 Å²	70.2	14%	0.141	39%	0.394	C	S	.	.	H	α-helix	trans	-114.2	-8.5	-170.2	-64.9	-65.5	0	0	0	114.6	V107 I109 S117 F125 V131	V107-Y129 HydrophobicContact CG1-CD1 3.88Å; V107-Y129 HydrophobicContact CG1-CG 4.2Å; I109-Y129 HydrophobicContact CB-CE1 4.36Å; I109-Y129 HydrophobicContact CD1-CD1 4.32Å; I109-Y129 HydrophobicContact CD1-CD2 4.28Å; I109-Y129 HydrophobicContact CD1-CE1 4.18Å; I109-Y129 HydrophobicContact CD1-CE2 4.13Å; I109-Y129 HydrophobicContact CD1-CG 4.38Å; I109-Y129 HydrophobicContact CG1-CD1 3.95Å; I109-Y129 HydrophobicContact CG1-CE1 3.62Å; I109-Y129 HydrophobicContact CG1-CE2 4.43Å; I109-Y129 HydrophobicContact CG1-CG 4.5Å; I109-Y129 HydrophobicContact CG2-CE1 4.45Å; S117-Y129 WeakPolarHBondContact CB-OH 3.34Å; S117-Y129 PolarHBondContact OG-OH 3.03Å; F125-Y129 HydrophobicContact CD1-CD2 4.18Å; F125-Y129 AromaticContact CD2-CD2 3.74Å; F125-Y129 HydrophobicContact CD2-CD2 3.74Å; F125-Y129 HydrophobicContact CD2-CE2 4.03Å; F125-Y129 HydrophobicContact CE1-CD2 4.12Å; F125-Y129 AromaticContact CE2-CD2 3.65Å; F125-Y129 HydrophobicContact CE2-CD2 3.65Å; F125-Y129 AromaticContact CE2-CE2 3.9Å; F125-Y129 HydrophobicContact CE2-CE2 3.9Å; F125-Y129 HydrophobicContact CG-CD2 4.02Å; F125-Y129 AromaticContact CZ-CD2 3.85Å; F125-Y129 HydrophobicContact CZ-CD2 3.85Å; F125-Y129 HydrophobicContact CZ-CE2 4.47Å; F125-Y129 HydrophobicContact CZ-CG 4.44Å; F125-Y129 PolarHBondContact O-N 3.39Å; Y129-V131 PolarHBondContact O-N 2.88Å
130	G	97	Very high	97.5	Very high	52 Å²	52	67.4 Å²	67.4	54%	0.536	38%	0.38	S	S	.	.	S	Bend	trans	69.6	8.3	-178.6	0	0	0	0	0	114.5	F126	F126-G130 WeakPolarHBondContact O-CA 3.28Å; F126-G130 PolarHBondContact O-N 3.34Å
131	V	96.8	Very high	97.6	Very high	50 Å²	50	65.3 Å²	65.3	30%	0.303	37%	0.369	S	S	.	.	S	Bend	trans	-129.5	152.7	-179	-67.3	0	0	0	0	110.7	V107 F125 F126 Y129	V107-V131 HydrophobicContact CB-CG2 4.5Å; V107-V131 HydrophobicContact CG1-CG2 4.21Å; V107-V131 HydrophobicContact CG2-CB 4.42Å; V107-V131 HydrophobicContact CG2-CG1 3.76Å; V107-V131 HydrophobicContact CG2-CG2 3.81Å; F125-V131 WeakPolarHBondContact CD1-O 3.33Å; F125-V131 HydrophobicContact CE1-CG2 3.88Å; F126-V131 WeakPolarHBondContact CA-O 3.25Å; Y129-V131 PolarHBondContact O-N 2.88Å
132	S	96.8	Very high	97.6	Very high	90 Å²	90	62.8 Å²	62.8	63%	0.629	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-62.4	141.6	175.1	-59	0	0	0	0	110.8
133	K	98	Very high	97.6	Very high	37 Å²	37	59 Å²	59	16%	0.161	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-63.2	131.2	176.6	-171.5	-176.8	172.3	-177.1	0	110.4	L118 L120 F125	L118-K133 WeakPolarHBondContact O-CE 3.5Å; L118-K133 PolarHBondContact O-NZ 3.42Å; L120-K133 WeakPolarHBondContact O-CD 3.45Å; L120-K133 WeakPolarHBondContact O-CE 3.32Å; L120-K133 PolarHBondContact O-NZ 3.25Å; F125-K133 HydrophobicContact CB-CB 3.86Å; F125-K133 HydrophobicContact CB-CD 4.33Å; F125-K133 HydrophobicContact CB-CG 4.12Å; F125-K133 HydrophobicContact CD1-CB 3.67Å; F125-K133 HydrophobicContact CD1-CG 4.15Å; F125-K133 HydrophobicContact CD2-CB 4.41Å; F125-K133 HydrophobicContact CD2-CG 4.02Å; F125-K133 HydrophobicContact CE1-CB 4.29Å; F125-K133 HydrophobicContact CE2-CG 4.48Å; F125-K133 HydrophobicContact CG-CB 3.72Å; F125-K133 HydrophobicContact CG-CD 4.49Å; F125-K133 HydrophobicContact CG-CG 3.83Å
134	P	97.9	Very high	97.6	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.013	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-61.8	141.8	174.7	26.7	-34.6	0	0	0	110	F89 L118 V141 F163	F89-P134 HydrophobicContact CE2-CB 4.34Å; F89-P134 HydrophobicContact CE2-CG 3.98Å; F89-P134 HydrophobicContact CZ-CB 4.43Å; F89-P134 HydrophobicContact CZ-CG 3.88Å; L118-P134 HydrophobicContact CD2-CG 4Å; P134-V141 HydrophobicContact CB-CG2 3.67Å; P134-F163 HydrophobicContact CB-CE1 3.9Å; P134-F163 HydrophobicContact CG-CE1 3.99Å; P134-F163 HydrophobicContact CG-CZ 4.27Å; P134-F163 WeakPolarHBondContact O-CE1 3.36Å
135	K	97.8	Very high	97.6	Very high	86 Å²	86	50.1 Å²	50.1	37%	0.374	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-91.4	151.4	175.8	-53.6	-56.9	-178	178.4	0	110.3	D122 S137 D138 F163	D122-K135 IonicContact OD1-NZ 2.81Å; D122-K135 PolarHBondContact OD1-NZ 3.43Å; D122-K135 IonicContact OD2-NZ 2.64Å; D122-K135 PolarHBondContact OD2-NZ 2.87Å; K135-S137 PolarHBondContact O-N 3.02Å; K135-D138 PolarHBondContact N-OD2 3.17Å; K135-D138 VanDerWaalsContact O-CB 3.26Å; K135-D138 WeakPolarHBondContact O-CB 3.48Å; K135-D138 PolarHBondContact O-N 3.37Å; K135-F163 WeakPolarHBondContact O-CE1 3.33Å
136	T	96.9	Very high	97.4	Very high	79 Å²	79	54.1 Å²	54.1	49%	0.485	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-21.7	179.1	50.7	0	0	0	0	112.9	D138 F163	T136-D138 VanDerWaalsContact C-N 3.34Å; T136-F163 HydrophobicContact CG2-CD1 4.42Å; T136-F163 HydrophobicContact CG2-CD2 4.32Å; T136-F163 HydrophobicContact CG2-CE1 4.28Å; T136-F163 HydrophobicContact CG2-CE2 4.18Å; T136-F163 HydrophobicContact CG2-CG 4.44Å; T136-F163 HydrophobicContact CG2-CZ 4.15Å
137	S	96.6	Very high	96.9	Very high	86 Å²	86	51 Å²	51	60%	0.601	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-18.2	173.2	50.6	0	0	0	0	114.2	K135	K135-S137 PolarHBondContact O-N 3.02Å
138	D	97	Very high	96.5	Very high	41 Å²	41	46.7 Å²	46.7	22%	0.219	28%	0.275	C	S	.	.			trans	-70.6	142.4	-172.4	-66.1	-11.5	0	0	0	111.3	Q87 K135 T136 V141	Q87-D138 PolarHBondContact NE2-OD2 3.38Å; K135-D138 PolarHBondContact N-OD2 3.17Å; K135-D138 VanDerWaalsContact O-CB 3.26Å; K135-D138 WeakPolarHBondContact O-CB 3.48Å; K135-D138 PolarHBondContact O-N 3.37Å; T136-D138 VanDerWaalsContact C-N 3.34Å; D138-V141 HydrophobicContact CB-CG2 3.92Å
139	S	94.9	Very high	96.2	Very high	58 Å²	58	46 Å²	46	41%	0.406	28%	0.28	S	S	.	.	S	Bend	trans	-112.2	0.7	-178	68.9	0	0	0	0	114.7	R165	S139-R165 PolarHBondContact OG-NH2 3.48Å
140	N	96.5	Very high	96	Very high	43 Å²	43	45.5 Å²	45.5	23%	0.23	28%	0.282	C	S	.	.			trans	-107.9	14.7	-176.5	61.5	-22.5	0	0	0	112	T85 Q87	T85-N140 VanDerWaalsContact O-CB 3.3Å; T85-N140 WeakPolarHBondContact O-CB 3.23Å; T85-N140 PolarHBondContact O-ND2 3.44Å; Q87-N140 PolarHBondContact N-O 3.18Å; Q87-N140 PolarHBondContact NE2-OD1 3.15Å
141	V	98.5	Very high	96	Very high	1 Å²	1	43 Å²	43	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	119.3	176.8	178.8	0	0	0	0	109.4	Q87 F89 P134 D138 F143 A166 K167	Q87-V141 HydrophobicContact CB-CG2 4.43Å; F89-V141 HydrophobicContact CD2-CG1 4.16Å; F89-V141 HydrophobicContact CE2-CG1 4.02Å; P134-V141 HydrophobicContact CB-CG2 3.67Å; D138-V141 HydrophobicContact CB-CG2 3.92Å; V141-F143 HydrophobicContact CG1-CE2 3.76Å; V141-F143 HydrophobicContact CG1-CZ 3.7Å; V141-A166 HydrophobicContact CB-CB 4.28Å; V141-A166 HydrophobicContact CG1-CB 4.16Å; V141-A166 WeakPolarHBondContact O-CA 3.25Å; V141-K167 PolarHBondContact O-N 3.19Å
142	I	98.6	Very high	95.9	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	130.5	-175.7	-54.4	-172.5	0	0	0	110.4	I72 L77 V86 Q87 L88 F89 K167	I72-I142 HydrophobicContact CD1-CD1 3.3Å; I72-I142 HydrophobicContact CG1-CD1 4.48Å; I72-I142 HydrophobicContact CG2-CD1 4.31Å; I72-I142 HydrophobicContact CG2-CG2 3.89Å; L77-I142 HydrophobicContact CD1-CD1 3.95Å; L77-I142 HydrophobicContact CD1-CG2 4.3Å; V86-I142 HydrophobicContact CG2-CB 4.17Å; V86-I142 HydrophobicContact CG2-CD1 3.59Å; V86-I142 HydrophobicContact CG2-CG1 3.87Å; Q87-I142 PolarHBondContact O-N 3.44Å; L88-I142 HydrophobicContact CD1-CB 3.84Å; L88-I142 HydrophobicContact CD1-CG2 3.74Å; F89-I142 PolarHBondContact N-O 3Å; I142-K167 WeakPolarHBondContact CA-O 3.49Å
143	F	98.6	Very high	95.9	Very high	1 Å²	1	38.8 Å²	38.8	0%	0.004	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	141.1	173.7	-58.7	-75.5	0	0	0	111.3	F89 V91 L114 L118 V141 A154 A158 A166 K167 Y168 Y169	F89-F143 HydrophobicContact CB-CD1 3.68Å; F89-F143 HydrophobicContact CB-CE1 3.87Å; F89-F143 HydrophobicContact CD2-CD1 4.25Å; F89-F143 AromaticContact CD2-CE1 3.74Å; F89-F143 HydrophobicContact CD2-CE1 3.74Å; F89-F143 HydrophobicContact CD2-CZ 4.33Å; F89-F143 HydrophobicContact CG-CD1 4.36Å; F89-F143 HydrophobicContact CG-CE1 4.06Å; V91-F143 HydrophobicContact CG1-CB 4.43Å; V91-F143 HydrophobicContact CG1-CD1 3.95Å; L114-F143 HydrophobicContact CD1-CD1 4.31Å; L114-F143 HydrophobicContact CD1-CE1 3.78Å; L114-F143 HydrophobicContact CD2-CE1 4.47Å; L118-F143 HydrophobicContact CD1-CZ 4.34Å; V141-F143 HydrophobicContact CG1-CE2 3.76Å; V141-F143 HydrophobicContact CG1-CZ 3.7Å; F143-A154 HydrophobicContact CB-CB 3.8Å; F143-A154 HydrophobicContact CD1-CB 4.16Å; F143-A154 HydrophobicContact CG-CB 3.89Å; F143-A158 HydrophobicContact CD2-CB 4.4Å; F143-A158 HydrophobicContact CE2-CB 3.39Å; F143-A158 HydrophobicContact CZ-CB 3.71Å; F143-A166 HydrophobicContact CD2-CB 4.43Å; F143-A166 HydrophobicContact CE2-CB 3.87Å; F143-K167 PolarHBondContact N-O 2.86Å; F143-Y168 CarbonylContact O-C 3.57Å; F143-Y168 WeakPolarHBondContact O-CA 3.21Å; F143-Y168 WeakPolarHBondContact O-CB 3.23Å; F143-Y169 PolarHBondContact O-N 3.39Å
144	Y	98.5	Very high	95.9	Very high	0 Å²	0	37 Å²	37	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	148.2	168.5	80.5	-86.9	0	0	0	110.6	L88 F89 D90 V91 S102 I103 S106 W173	L88-Y144 HydrophobicContact CD1-CD1 3.66Å; L88-Y144 HydrophobicContact CD1-CE1 4.2Å; L88-Y144 HydrophobicContact CD2-CD1 4.24Å; L88-Y144 HydrophobicContact CD2-CE1 4.02Å; L88-Y144 HydrophobicContact CG-CD1 3.82Å; L88-Y144 HydrophobicContact CG-CE1 3.82Å; F89-Y144 WeakPolarHBondContact O-CD1 3.34Å; F89-Y144 PolarHBondContact O-N 3.09Å; D90-Y144 WeakPolarHBondContact CA-O 3.45Å; D90-Y144 HydrophobicContact CB-CE1 3.7Å; D90-Y144 HydrophobicContact CB-CE2 4.04Å; D90-Y144 VanDerWaalsContact CB-CZ 3.41Å; D90-Y144 VanDerWaalsContact CB-OH 3.25Å; D90-Y144 WeakPolarHBondContact CB-OH 3.3Å; D90-Y144 WeakPolarHBondContact OD2-CE2 3.24Å; D90-Y144 VanDerWaalsContact OD2-CZ 3.23Å; D90-Y144 PolarHBondContact OD2-OH 2.93Å; V91-Y144 WeakPolarHBondContact CG2-O 3.06Å; V91-Y144 PolarHBondContact N-O 2.68Å; S102-Y144 WeakPolarHBondContact CB-OH 3.22Å; I103-Y144 HydrophobicContact CB-CE1 4.03Å; I103-Y144 HydrophobicContact CD1-CD1 3.94Å; I103-Y144 HydrophobicContact CD1-CD2 3.91Å; I103-Y144 HydrophobicContact CD1-CE1 3.82Å; I103-Y144 HydrophobicContact CD1-CE2 3.84Å; I103-Y144 HydrophobicContact CD1-CG 3.96Å; I103-Y144 HydrophobicContact CG1-CD2 4.43Å; I103-Y144 HydrophobicContact CG1-CE1 3.97Å; I103-Y144 HydrophobicContact CG1-CE2 3.85Å; I103-Y144 PolarHBondContact N-OH 3.22Å; S106-Y144 PolarHBondContact OG-OH 3.13Å; S106-Y144 VanDerWaalsContact OG-OH 3.09Å; Y144-W173 HydrophobicContact CE2-CB 4.4Å
145	G	97.3	Very high	95.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	22%	0.222	C	C	.	.			trans	-122.3	-156.1	177.7	0	0	0	0	0	111.1	S150 G172 W173	G145-S150 WeakPolarHBondContact CA-OG 3.41Å; G145-G172 CarbonylContact O-C 3.6Å; G145-G172 WeakPolarHBondContact O-CA 3.32Å; G145-W173 PolarHBondContact O-N 3.17Å
146	L	94.5	Very high	95.8	Very high	84 Å²	84	39 Å²	39	44%	0.44	23%	0.232	S	C	.	.	S	Bend	trans	-67.5	-45.2	170.3	-175	63.4	0	0	0	110.1	R92 W173 T174	R92-L146 HydrophobicContact CG-CB 4.26Å; R92-L146 VanDerWaalsContact CG-N 3.35Å; L146-W173 PolarHBondContact O-N 3.09Å; L146-T174 PolarHBondContact O-N 3.26Å; L146-T174 PolarHBondContact O-OG1 3.48Å
147	S	88.9	Confident	95.9	Very high	48 Å²	48	37.3 Å²	37.3	34%	0.336	22%	0.22	S	C	.	.	S	Bend	trans	-141.3	-165.6	177.3	77.1	0	0	0	0	111.5	S150 S151 L170	S147-S150 PolarHBondContact O-OG 2.99Å; S147-S151 PolarHBondContact O-OG 2.9Å; S147-L170 CarbonylContact C-O 3.59Å
148	D	89.9	Confident	95.9	Very high	72 Å²	72	33.2 Å²	33.2	39%	0.385	19%	0.191	S	C	.	.	H	α-helix	trans	-55.5	-45	179.7	61.6	-25.1	0	0	0	115.3	S150 S151 A152 L170	D148-S150 PolarHBondContact O-N 2.94Å; D148-S151 WeakPolarHBondContact CA-OG 3.14Å; D148-S151 PolarHBondContact O-N 2.99Å; D148-S151 PolarHBondContact O-OG 3.46Å; D148-A152 VanDerWaalsContact O-CB 3.24Å; D148-A152 WeakPolarHBondContact O-CB 3.38Å; D148-A152 PolarHBondContact O-N 3.28Å; D148-L170 WeakPolarHBondContact CA-O 3.44Å; D148-L170 HydrophobicContact CB-CD1 3.61Å; D148-L170 HydrophobicContact CB-CG 4.32Å; D148-L170 WeakPolarHBondContact CB-O 3.46Å; D148-L170 PolarHBondContact N-O 3.36Å
149	V	91.7	Very high	96	Very high	98 Å²	98	32.9 Å²	32.9	59%	0.594	19%	0.188	S	C	*	.	H	α-helix	trans	-61.5	-48.6	-170.1	177.3	0	0	0	0	111.9	S153	V149-S153 WeakPolarHBondContact O-CB 3.36Å; V149-S153 PolarHBondContact O-N 2.71Å; V149-S153 VanDerWaalsContact O-N 3.09Å; V149-S153 PolarHBondContact O-OG 2.85Å
150	S	94.4	Very high	96.1	Very high	26 Å²	26	34.1 Å²	34.1	18%	0.182	20%	0.197	C	C	.	.	H	α-helix	trans	-72.4	-38.4	-178.1	45.7	0	0	0	0	112.2	G145 S147 D148 A154	G145-S150 WeakPolarHBondContact CA-OG 3.41Å; S147-S150 PolarHBondContact O-OG 2.99Å; D148-S150 PolarHBondContact O-N 2.94Å; S150-A154 WeakPolarHBondContact O-CB 3.47Å; S150-A154 PolarHBondContact O-N 2.74Å
151	S	95.6	Very high	96.2	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.1	-41.7	178.6	57.2	0	0	0	0	112.5	S147 D148 A154 C155 Y168 Y169	S147-S151 PolarHBondContact O-OG 2.9Å; D148-S151 WeakPolarHBondContact CA-OG 3.14Å; D148-S151 PolarHBondContact O-N 2.99Å; D148-S151 PolarHBondContact O-OG 3.46Å; S151-A154 PolarHBondContact O-N 2.86Å; S151-C155 PolarHBondContact O-N 2.86Å; S151-C155 VanDerWaalsContact O-N 3.16Å; S151-Y168 WeakPolarHBondContact O-CB 3.41Å; S151-Y169 PolarHBondContact OG-O 3.38Å
152	A	95.4	Very high	96.1	Very high	10 Å²	10	35.7 Å²	35.7	8%	0.083	21%	0.211	C	C	.	.	H	α-helix	trans	-65	-46.5	174.3	0	0	0	0	0	111.6	D148 A154 C155 E156 Y168	D148-A152 VanDerWaalsContact O-CB 3.24Å; D148-A152 WeakPolarHBondContact O-CB 3.38Å; D148-A152 PolarHBondContact O-N 3.28Å; A152-A154 VanDerWaalsContact C-N 3.28Å; A152-A154 PolarHBondContact O-N 3.4Å; A152-C155 VanDerWaalsContact O-CB 3.28Å; A152-C155 WeakPolarHBondContact O-CB 3.39Å; A152-C155 PolarHBondContact O-N 3.11Å; A152-E156 PolarHBondContact O-N 2.9Å; A152-Y168 HydrophobicContact CB-CD2 4.25Å; A152-Y168 HydrophobicContact CB-CE2 3.83Å
153	S	95.9	Very high	96.1	Very high	40 Å²	40	35.9 Å²	35.9	28%	0.28	21%	0.212	S	C	.	.	H	α-helix	trans	-58.8	-39.7	177.6	-59.2	0	0	0	0	112.1	V149 E156 I157	V149-S153 WeakPolarHBondContact O-CB 3.36Å; V149-S153 PolarHBondContact O-N 2.71Å; V149-S153 VanDerWaalsContact O-N 3.09Å; V149-S153 PolarHBondContact O-OG 2.85Å; S153-E156 PolarHBondContact O-N 3.48Å; S153-I157 WeakPolarHBondContact O-CG1 3.41Å; S153-I157 PolarHBondContact O-N 2.74Å
154	A	98.1	Very high	95.9	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-62.8	-42.2	175.4	0	0	0	0	0	112.6	V91 L111 L114 F143 S150 S151 A152 I157 A158	V91-A154 HydrophobicContact CB-CB 4.27Å; V91-A154 HydrophobicContact CG1-CB 3.71Å; V91-A154 HydrophobicContact CG2-CB 4.01Å; L111-A154 HydrophobicContact CD1-CB 3.97Å; L114-A154 HydrophobicContact CD2-CB 3.49Å; L114-A154 VanDerWaalsContact CD2-CB 3.49Å; F143-A154 HydrophobicContact CB-CB 3.8Å; F143-A154 HydrophobicContact CD1-CB 4.16Å; F143-A154 HydrophobicContact CG-CB 3.89Å; S150-A154 WeakPolarHBondContact O-CB 3.47Å; S150-A154 PolarHBondContact O-N 2.74Å; S151-A154 PolarHBondContact O-N 2.86Å; A152-A154 VanDerWaalsContact C-N 3.28Å; A152-A154 PolarHBondContact O-N 3.4Å; A154-I157 PolarHBondContact O-N 2.79Å; A154-A158 WeakPolarHBondContact O-CB 3.45Å; A154-A158 PolarHBondContact O-N 3.47Å
155	C	97.3	Very high	95.8	Very high	4 Å²	4	49.1 Å²	49.1	3%	0.027	27%	0.266	C	S	.	.	H	α-helix	trans	-60.4	-45.7	175.9	-161.7	0	0	0	0	111.5	S151 A152 I157 A158 H159 A166 Y168	S151-C155 PolarHBondContact O-N 2.86Å; S151-C155 VanDerWaalsContact O-N 3.16Å; A152-C155 VanDerWaalsContact O-CB 3.28Å; A152-C155 WeakPolarHBondContact O-CB 3.39Å; A152-C155 PolarHBondContact O-N 3.11Å; C155-I157 PolarHBondContact O-N 3.35Å; C155-A158 PolarHBondContact O-N 3.35Å; C155-H159 WeakPolarHBondContact O-CB 3.09Å; C155-H159 PolarHBondContact O-CD2 2.74Å; C155-H159 VanDerWaalsContact O-CD2 3.22Å; C155-H159 PolarHBondContact O-N 3.26Å; C155-H159 PolarHBondContact SG-NE2 2.9Å; C155-A166 PolarHBondContact SG-O 3.14Å; C155-Y168 HydrophobicContact CB-CD1 3.67Å; C155-Y168 HydrophobicContact CB-CG 4.12Å
156	E	96.8	Very high	95.8	Very high	125 Å²	125	49.1 Å²	49.1	58%	0.584	27%	0.266	S	S	*	.	H	α-helix	trans	-61.7	-44	178.2	-70.2	173.7	-172.2	0	0	112.1	A152 S153 A158 H159 S160	A152-E156 PolarHBondContact O-N 2.9Å; S153-E156 PolarHBondContact O-N 3.48Å; E156-A158 VanDerWaalsContact C-N 3.34Å; E156-A158 PolarHBondContact O-N 3.17Å; E156-H159 PolarHBondContact O-N 3.49Å; E156-S160 PolarHBondContact O-N 2.82Å
157	I	98.2	Very high	96	Very high	44 Å²	44	48 Å²	48	23%	0.226	26%	0.257	C	S	.	.	H	α-helix	trans	-58.5	-47.9	174.1	-69.4	166.5	0	0	0	110	L111 L114 K115 S153 A154 C155 H159 S160 L161	L111-I157 HydrophobicContact CD1-CD1 3.98Å; L114-I157 HydrophobicContact CD2-CB 4.4Å; L114-I157 HydrophobicContact CD2-CD1 4.47Å; L114-I157 HydrophobicContact CD2-CG2 4.36Å; K115-I157 HydrophobicContact CB-CG2 3.85Å; K115-I157 HydrophobicContact CG-CG2 4.28Å; S153-I157 WeakPolarHBondContact O-CG1 3.41Å; S153-I157 PolarHBondContact O-N 2.74Å; A154-I157 PolarHBondContact O-N 2.79Å; C155-I157 PolarHBondContact O-N 3.35Å; I157-H159 PolarHBondContact O-N 3.37Å; I157-S160 WeakPolarHBondContact O-CB 3.33Å; I157-S160 PolarHBondContact O-N 2.86Å; I157-S160 PolarHBondContact O-OG 3.43Å; I157-L161 HydrophobicContact CG2-CD1 4.38Å; I157-L161 WeakPolarHBondContact O-CG 3.49Å; I157-L161 PolarHBondContact O-N 2.97Å
158	A	98.3	Very high	96.4	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-62.8	-41.8	179	0	0	0	0	0	111.9	L118 F143 A154 C155 E156 S160 L161 G162 F163 A166	L118-A158 HydrophobicContact CD1-CB 4.16Å; F143-A158 HydrophobicContact CD2-CB 4.4Å; F143-A158 HydrophobicContact CE2-CB 3.39Å; F143-A158 HydrophobicContact CZ-CB 3.71Å; A154-A158 WeakPolarHBondContact O-CB 3.45Å; A154-A158 PolarHBondContact O-N 3.47Å; C155-A158 PolarHBondContact O-N 3.35Å; E156-A158 VanDerWaalsContact C-N 3.34Å; E156-A158 PolarHBondContact O-N 3.17Å; A158-S160 VanDerWaalsContact C-N 3.29Å; A158-S160 PolarHBondContact O-N 2.66Å; A158-L161 CarbonylContact O-C 3.52Å; A158-L161 PolarHBondContact O-N 3.43Å; A158-G162 PolarHBondContact O-N 3.5Å; A158-F163 HydrophobicContact CB-CB 3.97Å; A158-F163 HydrophobicContact CB-CD2 4.28Å; A158-F163 HydrophobicContact CB-CG 4.37Å; A158-F163 WeakPolarHBondContact O-CB 3.47Å; A158-F163 WeakPolarHBondContact O-CD2 3.3Å; A158-F163 PolarHBondContact O-N 3.15Å; A158-A166 HydrophobicContact CB-CB 4.31Å
159	H	97.7	Very high	96.8	Very high	34 Å²	34	42.7 Å²	42.7	16%	0.157	22%	0.224	C	C	.	.	H	α-helix	trans	-61.3	-38.1	175.7	-75	-166.5	0	0	0	112	F70 C155 E156 I157 L161 G162 F163 K164 A166	F70-H159 AromaticContact CD1-CE1 3.55Å; F70-H159 AromaticContact CD1-NE2 3.83Å; F70-H159 AromaticContact CD2-CE1 3.76Å; F70-H159 AromaticContact CE1-CE1 3.67Å; F70-H159 AromaticContact CE2-CE1 3.87Å; F70-H159 AromaticContact CG-CE1 3.59Å; F70-H159 AromaticContact CZ-CE1 3.82Å; C155-H159 WeakPolarHBondContact O-CB 3.09Å; C155-H159 PolarHBondContact O-CD2 2.74Å; C155-H159 VanDerWaalsContact O-CD2 3.22Å; C155-H159 PolarHBondContact O-N 3.26Å; C155-H159 PolarHBondContact SG-NE2 2.9Å; E156-H159 PolarHBondContact O-N 3.49Å; I157-H159 PolarHBondContact O-N 3.37Å; H159-L161 PolarHBondContact O-N 3.42Å; H159-G162 PolarHBondContact O-N 3.27Å; H159-G162 VanDerWaalsContact O-N 3.16Å; H159-F163 PolarHBondContact CD2-O 3.03Å; H159-K164 PolarHBondContact O-NZ 2.94Å; H159-A166 PolarHBondContact NE2-O 2.7Å
160	S	97.3	Very high	96.9	Very high	85 Å²	85	40.1 Å²	40.1	59%	0.594	21%	0.207	S	C	*	.	H	α-helix	trans	-64.1	-28.6	175.4	82.1	0	0	0	0	112.6	E156 I157 A158	E156-S160 PolarHBondContact O-N 2.82Å; I157-S160 WeakPolarHBondContact O-CB 3.33Å; I157-S160 PolarHBondContact O-N 2.86Å; I157-S160 PolarHBondContact O-OG 3.43Å; A158-S160 VanDerWaalsContact C-N 3.29Å; A158-S160 PolarHBondContact O-N 2.66Å
161	L	97.8	Very high	96.9	Very high	49 Å²	49	43.7 Å²	43.7	26%	0.257	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	3.3	177	-62.7	176.3	0	0	0	113.6	K115 L118 I119 I157 A158 H159 F163	K115-L161 HydrophobicContact CG-CD1 4.4Å; L118-L161 HydrophobicContact CB-CD1 3.56Å; L118-L161 HydrophobicContact CD1-CD1 4.03Å; L118-L161 HydrophobicContact CG-CD1 4.45Å; I119-L161 HydrophobicContact CD1-CD2 3.96Å; I119-L161 HydrophobicContact CG1-CD1 4.21Å; I119-L161 HydrophobicContact CG1-CD2 3.88Å; I157-L161 HydrophobicContact CG2-CD1 4.38Å; I157-L161 WeakPolarHBondContact O-CG 3.49Å; I157-L161 PolarHBondContact O-N 2.97Å; A158-L161 CarbonylContact O-C 3.52Å; A158-L161 PolarHBondContact O-N 3.43Å; H159-L161 PolarHBondContact O-N 3.42Å; L161-F163 HydrophobicContact CB-CD2 4.09Å; L161-F163 HydrophobicContact CB-CE2 4.23Å
162	G	97.6	Very high	96.8	Very high	27 Å²	27	43.7 Å²	43.7	28%	0.278	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	100.1	0.4	175.3	0	0	0	0	0	115.5	A158 H159 K164	A158-G162 PolarHBondContact O-N 3.5Å; H159-G162 PolarHBondContact O-N 3.27Å; H159-G162 VanDerWaalsContact O-N 3.16Å; G162-K164 PolarHBondContact O-N 3.43Å
163	F	97.8	Very high	96.9	Very high	6 Å²	6	44 Å²	44	3%	0.026	22%	0.219	C	C	.	.			trans	-77	62.7	174.7	-63.3	-91.7	0	0	0	111.4	L118 P134 K135 T136 A158 H159 L161 R165 A166	L118-F163 HydrophobicContact CB-CE2 4.29Å; L118-F163 HydrophobicContact CD1-CE2 4.31Å; L118-F163 HydrophobicContact CD2-CE2 4.32Å; L118-F163 HydrophobicContact CD2-CZ 4.25Å; P134-F163 HydrophobicContact CB-CE1 3.9Å; P134-F163 HydrophobicContact CG-CE1 3.99Å; P134-F163 HydrophobicContact CG-CZ 4.27Å; P134-F163 WeakPolarHBondContact O-CE1 3.36Å; K135-F163 WeakPolarHBondContact O-CE1 3.33Å; T136-F163 HydrophobicContact CG2-CD1 4.42Å; T136-F163 HydrophobicContact CG2-CD2 4.32Å; T136-F163 HydrophobicContact CG2-CE1 4.28Å; T136-F163 HydrophobicContact CG2-CE2 4.18Å; T136-F163 HydrophobicContact CG2-CG 4.44Å; T136-F163 HydrophobicContact CG2-CZ 4.15Å; A158-F163 HydrophobicContact CB-CB 3.97Å; A158-F163 HydrophobicContact CB-CD2 4.28Å; A158-F163 HydrophobicContact CB-CG 4.37Å; A158-F163 WeakPolarHBondContact O-CB 3.47Å; A158-F163 WeakPolarHBondContact O-CD2 3.3Å; A158-F163 PolarHBondContact O-N 3.15Å; H159-F163 PolarHBondContact CD2-O 3.03Å; L161-F163 HydrophobicContact CB-CD2 4.09Å; L161-F163 HydrophobicContact CB-CE2 4.23Å; F163-R165 PolarHBondContact O-N 3.13Å; F163-A166 HydrophobicContact CB-CB 4.03Å; F163-A166 WeakPolarHBondContact O-CB 3.38Å; F163-A166 PolarHBondContact O-N 3.19Å
164	K	95.4	Very high	96.8	Very high	131 Å²	131	45.8 Å²	45.8	57%	0.57	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-15.3	-170.7	-59.3	-52.1	-173.3	-175.6	0	114.7	F70 H159 G162	F70-K164 WeakPolarHBondContact CE1-O 3.38Å; H159-K164 PolarHBondContact O-NZ 2.94Å; G162-K164 PolarHBondContact O-N 3.43Å
165	R	96.4	Very high	96.6	Very high	148 Å²	148	48.2 Å²	48.2	56%	0.558	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.1	1.9	179.2	-59	179.4	72.2	179	-1	113	S139 F163	S139-R165 PolarHBondContact OG-NH2 3.48Å; F163-R165 PolarHBondContact O-N 3.13Å
166	A	97.6	Very high	96.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.241	C	C	.	.			trans	-62.8	141.9	175.3	0	0	0	0	0	110.5	V141 F143 C155 A158 H159 F163	V141-A166 HydrophobicContact CB-CB 4.28Å; V141-A166 HydrophobicContact CG1-CB 4.16Å; V141-A166 WeakPolarHBondContact O-CA 3.25Å; F143-A166 HydrophobicContact CD2-CB 4.43Å; F143-A166 HydrophobicContact CE2-CB 3.87Å; C155-A166 PolarHBondContact SG-O 3.14Å; A158-A166 HydrophobicContact CB-CB 4.31Å; H159-A166 PolarHBondContact NE2-O 2.7Å; F163-A166 HydrophobicContact CB-CB 4.03Å; F163-A166 WeakPolarHBondContact O-CB 3.38Å; F163-A166 PolarHBondContact O-N 3.19Å
167	K	98	Very high	96.3	Very high	61 Å²	61	44.3 Å²	44.3	27%	0.265	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	169.3	176.7	-64.5	-169.9	175.9	-169.5	0	110.5	F70 I72 V141 I142 F143	F70-K167 CarbonylContact O-C 3.53Å; F70-K167 WeakPolarHBondContact O-CA 2.96Å; F70-K167 VanDerWaalsContact O-CB 3.3Å; F70-K167 WeakPolarHBondContact O-CB 3.34Å; I72-K167 HydrophobicContact CB-CD 4.37Å; V141-K167 PolarHBondContact O-N 3.19Å; I142-K167 WeakPolarHBondContact CA-O 3.49Å; F143-K167 PolarHBondContact N-O 2.86Å
168	Y	97.9	Very high	96	Very high	6 Å²	6	46 Å²	46	2%	0.024	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	148.3	171.6	69.9	-79.8	0	0	0	112	F70 I71 I72 F143 S151 A152 C155 L170	F70-Y168 HydrophobicContact CB-CD1 4.42Å; F70-Y168 HydrophobicContact CB-CE1 4.31Å; F70-Y168 VanDerWaalsContact O-CD1 3.28Å; F70-Y168 WeakPolarHBondContact O-CD1 3.42Å; F70-Y168 PolarHBondContact O-N 2.98Å; I71-Y168 WeakPolarHBondContact CA-O 3.42Å; I71-Y168 HydrophobicContact CG1-CE1 3.9Å; I71-Y168 HydrophobicContact CG1-CE2 4.16Å; I71-Y168 WeakPolarHBondContact CG1-OH 3.37Å; I72-Y168 PolarHBondContact N-O 3.01Å; F143-Y168 CarbonylContact O-C 3.57Å; F143-Y168 WeakPolarHBondContact O-CA 3.21Å; F143-Y168 WeakPolarHBondContact O-CB 3.23Å; S151-Y168 WeakPolarHBondContact O-CB 3.41Å; A152-Y168 HydrophobicContact CB-CD2 4.25Å; A152-Y168 HydrophobicContact CB-CE2 3.83Å; C155-Y168 HydrophobicContact CB-CD1 3.67Å; C155-Y168 HydrophobicContact CB-CG 4.12Å; Y168-L170 HydrophobicContact CE2-CB 4.37Å; Y168-L170 HydrophobicContact CE2-CD1 3.8Å
169	Y	97.7	Very high	95.5	Very high	2 Å²	2	48.3 Å²	48.3	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	105.2	177.7	177.3	-131.8	0	0	0	109.8	I72 Y74 L77 F143 S151 K171 G172 E175 W176	I72-Y169 HydrophobicContact CG2-CD2 4.32Å; Y74-Y169 WeakPolarHBondContact CD2-OH 3.39Å; L77-Y169 HydrophobicContact CD2-CD1 3.74Å; L77-Y169 HydrophobicContact CD2-CD2 4.07Å; L77-Y169 HydrophobicContact CD2-CE1 4.15Å; L77-Y169 HydrophobicContact CD2-CE2 4.46Å; L77-Y169 HydrophobicContact CD2-CG 3.68Å; F143-Y169 PolarHBondContact O-N 3.39Å; S151-Y169 PolarHBondContact OG-O 3.38Å; Y169-K171 PolarHBondContact O-N 3.34Å; Y169-G172 WeakPolarHBondContact CE1-O 3.41Å; Y169-G172 PolarHBondContact O-N 3.28Å; Y169-E175 WeakPolarHBondContact CE2-OE2 3.48Å; Y169-E175 VanDerWaalsContact OH-CG 3.3Å; Y169-E175 WeakPolarHBondContact OH-CG 3.18Å; Y169-E175 PolarHBondContact OH-OE2 3.36Å; Y169-W176 HydrophobicContact CE1-CB 4.19Å
170	L	93.9	Very high	94.6	Very high	44 Å²	44	53.3 Å²	53.3	23%	0.23	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-43.9	-166.9	-179.6	71.1	0	0	0	113.4	I71 S147 D148 Y168 G172	I71-L170 HydrophobicContact CD1-CD1 4.46Å; I71-L170 HydrophobicContact CD1-CD2 4.38Å; I71-L170 HydrophobicContact CG2-CB 3.92Å; S147-L170 CarbonylContact C-O 3.59Å; D148-L170 WeakPolarHBondContact CA-O 3.44Å; D148-L170 HydrophobicContact CB-CD1 3.61Å; D148-L170 HydrophobicContact CB-CG 4.32Å; D148-L170 WeakPolarHBondContact CB-O 3.46Å; D148-L170 PolarHBondContact N-O 3.36Å; Y168-L170 HydrophobicContact CE2-CB 4.37Å; Y168-L170 HydrophobicContact CE2-CD1 3.8Å; L170-G172 VanDerWaalsContact C-N 3.32Å
171	K	93.9	Very high	93.3	Very high	102 Å²	102	55.9 Å²	55.9	44%	0.443	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-6.5	-173.5	-56.1	-68.1	-172.4	178.7	0	113.3	Y169 E175	Y169-K171 PolarHBondContact O-N 3.34Å; K171-E175 HydrophobicContact CB-CB 3.38Å; K171-E175 HydrophobicContact CB-CG 4.1Å; K171-E175 WeakPolarHBondContact CB-OE2 3.44Å; K171-E175 HydrophobicContact CG-CB 4.3Å; K171-E175 VanDerWaalsContact CG-OE2 3.3Å; K171-E175 WeakPolarHBondContact CG-OE2 3.19Å; K171-E175 PolarHBondContact O-N 3.08Å
172	G	94.8	Very high	91.4	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	57.2	-156.7	170.8	0	0	0	0	0	114.6	G145 Y169 L170 T174 E175 W176	G145-G172 CarbonylContact O-C 3.6Å; G145-G172 WeakPolarHBondContact O-CA 3.32Å; Y169-G172 WeakPolarHBondContact CE1-O 3.41Å; Y169-G172 PolarHBondContact O-N 3.28Å; L170-G172 VanDerWaalsContact C-N 3.32Å; G172-T174 PolarHBondContact O-N 3.26Å; G172-E175 PolarHBondContact O-N 3.39Å; G172-W176 PolarHBondContact O-N 3.46Å
173	W	96.4	Very high	91.1	Very high	16 Å²	16	65.4 Å²	65.4	6%	0.061	30%	0.304	C	S	.	.	H	α-helix	trans	-57.9	-33.3	-179.2	178.5	-111.4	0	0	0	113.4	R92 T100 S102 I103 Y144 G145 L146 E175 W176 S177	R92-W173 VanDerWaalsContact NH1-CD1 3.3Å; T100-W173 WeakPolarHBondContact O-CZ2 3.49Å; S102-W173 WeakPolarHBondContact O-CZ3 3.18Å; I103-W173 HydrophobicContact CG1-CE3 3.95Å; I103-W173 HydrophobicContact CG1-CZ3 4.01Å; Y144-W173 HydrophobicContact CE2-CB 4.4Å; G145-W173 PolarHBondContact O-N 3.17Å; L146-W173 PolarHBondContact O-N 3.09Å; W173-E175 PolarHBondContact O-N 3.19Å; W173-W176 AromaticContact CZ3-CD1 3.66Å; W173-W176 PolarHBondContact O-N 3.21Å; W173-S177 WeakPolarHBondContact O-CB 3.38Å; W173-S177 PolarHBondContact O-N 2.99Å; W173-S177 PolarHBondContact O-OG 3.26Å
174	T	93.1	Very high	90.7	Very high	77 Å²	77	68.5 Å²	68.5	47%	0.472	32%	0.319	S	S	.	.	H	α-helix	trans	-60	-46.5	-178.1	-60.1	0	0	0	0	112.6	L146 G172 S177 T178	L146-T174 PolarHBondContact O-N 3.26Å; L146-T174 PolarHBondContact O-OG1 3.48Å; G172-T174 PolarHBondContact O-N 3.26Å; T174-S177 PolarHBondContact O-OG 3.13Å; T174-T178 PolarHBondContact O-N 3.18Å; T174-T178 PolarHBondContact O-OG1 3.26Å
175	E	94.5	Very high	90.5	Very high	52 Å²	52	65 Å²	65	24%	0.243	31%	0.305	C	S	.	.	H	α-helix	trans	-71.9	-44.1	176	175.8	172	-106.2	0	0	111.4	Y169 K171 G172 W173 S177 T178 M179	Y169-E175 WeakPolarHBondContact CE2-OE2 3.48Å; Y169-E175 VanDerWaalsContact OH-CG 3.3Å; Y169-E175 WeakPolarHBondContact OH-CG 3.18Å; Y169-E175 PolarHBondContact OH-OE2 3.36Å; K171-E175 HydrophobicContact CB-CB 3.38Å; K171-E175 HydrophobicContact CB-CG 4.1Å; K171-E175 WeakPolarHBondContact CB-OE2 3.44Å; K171-E175 HydrophobicContact CG-CB 4.3Å; K171-E175 VanDerWaalsContact CG-OE2 3.3Å; K171-E175 WeakPolarHBondContact CG-OE2 3.19Å; K171-E175 PolarHBondContact O-N 3.08Å; G172-E175 PolarHBondContact O-N 3.39Å; W173-E175 PolarHBondContact O-N 3.19Å; E175-S177 VanDerWaalsContact C-N 3.34Å; E175-S177 PolarHBondContact O-N 3.47Å; E175-T178 PolarHBondContact O-N 3.42Å; E175-T178 VanDerWaalsContact O-N 3.11Å; E175-M179 HydrophobicContact CG-CE 4.19Å; E175-M179 HydrophobicContact CG-CG 4.02Å; E175-M179 WeakPolarHBondContact O-CG 3.32Å; E175-M179 PolarHBondContact O-N 3.34Å
176	W	94.9	Very high	90.1	Very high	15 Å²	15	60.1 Å²	60.1	6%	0.057	29%	0.29	C	S	.	.	H	α-helix	trans	-57.3	-47.4	-178.6	-176.9	-86.9	0	0	0	112.5	Y74 L77 I81 I103 Y169 G172 W173 T178 M179 R180	Y74-W176 HydrophobicContact CD2-CE3 4.01Å; Y74-W176 HydrophobicContact CD2-CZ3 4.28Å; Y74-W176 HydrophobicContact CE2-CD2 4.4Å; Y74-W176 AromaticContact CE2-CE3 3.77Å; Y74-W176 HydrophobicContact CE2-CE3 3.77Å; Y74-W176 AromaticContact CE2-CZ3 3.94Å; Y74-W176 HydrophobicContact CE2-CZ3 3.94Å; L77-W176 HydrophobicContact CD2-CE3 4.19Å; L77-W176 HydrophobicContact CD2-CZ3 4.13Å; L77-W176 HydrophobicContact CG-CZ3 4.18Å; I81-W176 HydrophobicContact CD1-CH2 3.25Å; I81-W176 HydrophobicContact CD1-CZ2 4.01Å; I81-W176 HydrophobicContact CD1-CZ3 3.64Å; I103-W176 HydrophobicContact CB-CD2 4.48Å; I103-W176 HydrophobicContact CD1-CB 4.04Å; I103-W176 HydrophobicContact CD1-CD2 3.64Å; I103-W176 HydrophobicContact CD1-CE3 3.86Å; I103-W176 HydrophobicContact CD1-CG 3.7Å; I103-W176 HydrophobicContact CG1-CB 4.26Å; I103-W176 HydrophobicContact CG1-CD2 3.75Å; I103-W176 HydrophobicContact CG1-CE3 4.43Å; I103-W176 HydrophobicContact CG1-CG 3.61Å; I103-W176 HydrophobicContact CG2-CD2 4.06Å; I103-W176 HydrophobicContact CG2-CE3 4.41Å; I103-W176 HydrophobicContact CG2-CH2 4.01Å; I103-W176 HydrophobicContact CG2-CZ2 3.58Å; I103-W176 HydrophobicContact CG2-CZ3 4.38Å; Y169-W176 HydrophobicContact CE1-CB 4.19Å; G172-W176 PolarHBondContact O-N 3.46Å; W173-W176 AromaticContact CZ3-CD1 3.66Å; W173-W176 PolarHBondContact O-N 3.21Å; W176-T178 VanDerWaalsContact C-N 3.3Å; W176-T178 PolarHBondContact O-N 3.06Å; W176-M179 PolarHBondContact O-N 3.21Å; W176-R180 PolarHBondContact O-N 3.48Å; W176-R180 VanDerWaalsContact O-N 3.15Å
177	S	92.3	Very high	89.6	Confident	31 Å²	31	63.9 Å²	63.9	22%	0.217	31%	0.308	C	S	.	.	H	α-helix	trans	-65.9	-32.3	179	56	0	0	0	0	112.6	W173 T174 E175 N181	W173-S177 WeakPolarHBondContact O-CB 3.38Å; W173-S177 PolarHBondContact O-N 2.99Å; W173-S177 PolarHBondContact O-OG 3.26Å; T174-S177 PolarHBondContact O-OG 3.13Å; E175-S177 VanDerWaalsContact C-N 3.34Å; E175-S177 PolarHBondContact O-N 3.47Å; S177-N181 PolarHBondContact O-ND2 3.41Å
178	T	92.6	Very high	89.1	Confident	80 Å²	80	64.1 Å²	64.1	49%	0.491	31%	0.311	S	S	.	.	H	α-helix	trans	-71.8	-44.8	176.3	-57.6	0	0	0	0	111.6	T174 E175 W176 R180 N181	T174-T178 PolarHBondContact O-N 3.18Å; T174-T178 PolarHBondContact O-OG1 3.26Å; E175-T178 PolarHBondContact O-N 3.42Å; E175-T178 VanDerWaalsContact O-N 3.11Å; W176-T178 VanDerWaalsContact C-N 3.3Å; W176-T178 PolarHBondContact O-N 3.06Å; T178-R180 VanDerWaalsContact C-N 3.31Å; T178-R180 PolarHBondContact O-N 3.06Å; T178-N181 PolarHBondContact O-N 3.34Å
179	M	89	Confident	88.4	Confident	49 Å²	49	68.2 Å²	68.2	24%	0.241	33%	0.331	C	S	.	.	H	α-helix	trans	-68.8	-27.6	-178.8	-66	-58.2	-166.3	0	0	112.9	Y74 E175 W176 N181 K182	Y74-M179 HydrophobicContact CD2-CB 4.33Å; Y74-M179 HydrophobicContact CD2-CG 4.21Å; Y74-M179 HydrophobicContact CE1-CB 4.26Å; Y74-M179 HydrophobicContact CE1-CG 4.43Å; Y74-M179 HydrophobicContact CE2-CB 3.65Å; Y74-M179 HydrophobicContact CE2-CG 4.02Å; Y74-M179 HydrophobicContact CG-CG 4.49Å; E175-M179 HydrophobicContact CG-CE 4.19Å; E175-M179 HydrophobicContact CG-CG 4.02Å; E175-M179 WeakPolarHBondContact O-CG 3.32Å; E175-M179 PolarHBondContact O-N 3.34Å; W176-M179 PolarHBondContact O-N 3.21Å; M179-N181 PolarHBondContact O-N 2.93Å; M179-K182 PolarHBondContact O-N 3.4Å; M179-K182 HydrophobicContact SD-CD 3.83Å; M179-K182 PolarHBondContact SD-NZ 3.28Å; M179-K182 VanDerWaalsContact SD-NZ 3.4Å
180	R	78.3	Confident	87.7	Confident	138 Å²	138	73.3 Å²	73.3	52%	0.521	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-18.1	177.1	-112.8	-151.3	-62.6	127.2	-6.7	114.9	W176 T178	W176-R180 PolarHBondContact O-N 3.48Å; W176-R180 VanDerWaalsContact O-N 3.15Å; T178-R180 VanDerWaalsContact C-N 3.31Å; T178-R180 PolarHBondContact O-N 3.06Å
181	N	69.6	Low	87.2	Confident	139 Å²	139	75.8 Å²	75.8	74%	0.743	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.8	5.9	179.9	-61.9	-46.6	0	0	0	113	S177 T178 M179	S177-N181 PolarHBondContact O-ND2 3.41Å; T178-N181 PolarHBondContact O-N 3.34Å; M179-N181 PolarHBondContact O-N 2.93Å
182	K	57.4	Low	86.6	Confident	210 Å²	210	73.4 Å²	73.4	91%	0.913	36%	0.36	S	S	*	.			trans	-93.1	0	172.1	-68.7	-174.5	-179.5	173.9	0	109.9	M179	M179-K182 PolarHBondContact O-N 3.4Å; M179-K182 HydrophobicContact SD-CD 3.83Å; M179-K182 PolarHBondContact SD-NZ 3.28Å; M179-K182 VanDerWaalsContact SD-NZ 3.4Å

Retrieved 182 of 182 residues in 54.8 ms (Link to these results)

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